(2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide

C14H19N3O — CID 56706776

IUPAC(2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide
SMILESN[C@H]1CN[C@H](C(=O)N[C@H]2CCc3ccccc32)C1
InChIInChI=1S/C14H19N3O/c15-10-7-13(16-8-10)14(18)17-12-6-5-9-3-1-2-4-11(9)12/h1-4,10,12-13,16H,5-8,15H2,(H,17,18)/t10-,12+,13+/m1/s1
InChIKeyBEHGMPIWRPOHSW-WXHSDQCUSA-N
MW245.33 g/mol
LogP0.48
Rot. Bonds2

About (2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide (PubChem CID 56706776) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide
PubChem CID56706776
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide
SMILESN[C@H]1CN[C@H](C(=O)N[C@H]2CCc3ccccc32)C1
InChIInChI=1S/C14H19N3O/c15-10-7-13(16-8-10)14(18)17-12-6-5-9-3-1-2-4-11(9)12/h1-4,10,12-13,16H,5-8,15H2,(H,17,18)/t10-,12+,13+/m1/s1
InChIKeyBEHGMPIWRPOHSW-WXHSDQCUSA-N
XLogP0.48
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119696998
4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
CID 43652030
(2R,4R)-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 124670344
N-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 42885854
3-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 63042687
2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
2-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 64824104
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 59415524
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-2-carboxamide
CID 141153564
3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 63042686
1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine
CID 62378735

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide (CID 56706776) is (2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide is N[C@H]1CN[C@H](C(=O)N[C@H]2CCc3ccccc32)C1.
What is the InChIKey of (2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide?
The InChIKey is BEHGMPIWRPOHSW-WXHSDQCUSA-N. The full InChI is InChI=1S/C14H19N3O/c15-10-7-13(16-8-10)14(18)17-12-6-5-9-3-1-2-4-11(9)12/h1-4,10,12-13,16H,5-8,15H2,(H,17,18)/t10-,12+,13+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56706776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).