(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid

C25H31N3O5 — CID 158629693

IUPAC(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21.NC(=O)[C@@H]1C[C@H](N)c2ccccc21
InChIInChI=1S/C15H19NO4.C10H12N2O/c1-15(2,3)20-14(19)16-12-8-11(13(17)18)9-6-4-5-7-10(9)12;11-9-5-8(10(12)13)6-3-1-2-4-7(6)9/h4-7,11-12H,8H2,1-3H3,(H,16,19)(H,17,18);1-4,8-9H,5,11H2,(H2,12,13)/t11-,12+;8-,9+/m11/s1
InChIKeyHZAOGTDGFVAYDB-AJCKVBDHSA-N
MW453.54 g/mol
LogP3.48
Rot. Bonds3

About (1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid

(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 158629693) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is (1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID158629693
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Name(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21.NC(=O)[C@@H]1C[C@H](N)c2ccccc21
InChIInChI=1S/C15H19NO4.C10H12N2O/c1-15(2,3)20-14(19)16-12-8-11(13(17)18)9-6-4-5-7-10(9)12;11-9-5-8(10(12)13)6-3-1-2-4-7(6)9/h4-7,11-12H,8H2,1-3H3,(H,16,19)(H,17,18);1-4,8-9H,5,11H2,(H2,12,13)/t11-,12+;8-,9+/m11/s1
InChIKeyHZAOGTDGFVAYDB-AJCKVBDHSA-N
XLogP3.48
TPSA144.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 28875372
(1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15404757
tert-butyl 3-[(2-cyano-2-methylpropanoyl)amino]-2,3-dihydro-1H-indene-1-carboxylate
CID 167784937
(3S,5S)-3-amino-1-methyl-5-phenylpiperidin-2-one;tert-butyl N-(1-methyl-2-oxo-5-phenylpiperidin-3-yl)carbamate;tert-butyl N-[(3S,5S)-1-methyl-2-oxo-5-phenylpiperidin-3-yl]carbamate;ethane
CID 159065930
1-(3-amino-2,3-dihydro-1H-inden-1-yl)ethanone
CID 86775772
(3S,5S,6R)-3-amino-1,6-dimethyl-5-phenylpiperidin-2-one;tert-butyl N-[(3S,5S,6R)-1,6-dimethyl-2-oxo-5-phenylpiperidin-3-yl]carbamate;ethane
CID 159969067
(5R,7S)-1,4-bis(methoxycarbonyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydro-5H-cyclopenta[d]pyridazine-7-carboxylic acid
CID 70928481
ethyl 2-[5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
CID 70379798
tert-butyl N-(2-oxo-1-trityloxyazetidin-3-yl)carbamate
CID 139885591
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
2-(2-cyclopropylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 79973080
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of (1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid (CID 158629693) is (1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for (1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for (1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid is CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21.NC(=O)[C@@H]1C[C@H](N)c2ccccc21.
What is the InChIKey of (1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is HZAOGTDGFVAYDB-AJCKVBDHSA-N. The full InChI is InChI=1S/C15H19NO4.C10H12N2O/c1-15(2,3)20-14(19)16-12-8-11(13(17)18)9-6-4-5-7-10(9)12;11-9-5-8(10(12)13)6-3-1-2-4-7(6)9/h4-7,11-12H,8H2,1-3H3,(H,16,19)(H,17,18);1-4,8-9H,5,11H2,(H2,12,13)/t11-,12+;8-,9+/m11/s1.
What are the key properties of (1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid?
(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 453.54 g/mol, XLogP of 3.48, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 158629693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).