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

C15H22N2O2 — CID 107222220

IUPAC(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C15H22N2O2/c1-9(2)7-12(16)15(19)17-14-11-6-4-3-5-10(11)8-13(14)18/h3-6,9,12-14,18H,7-8,16H2,1-2H3,(H,17,19)/t12-,13-,14+/m0/s1
InChIKeyAFRHBSITIMTFKE-MELADBBJSA-N
MW262.35 g/mol
LogP1.13
Rot. Bonds4

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

(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide (PubChem CID 107222220) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
PubChem CID107222220
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C15H22N2O2/c1-9(2)7-12(16)15(19)17-14-11-6-4-3-5-10(11)8-13(14)18/h3-6,9,12-14,18H,7-8,16H2,1-2H3,(H,17,19)/t12-,13-,14+/m0/s1
InChIKeyAFRHBSITIMTFKE-MELADBBJSA-N
XLogP1.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 61367021
2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide
CID 107222299
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017
5-amino-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 77313664
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 61155981
2-acetamido-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103819065
2-acetamido-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103625684
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]benzamide
CID 110903499

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide (CID 107222220) is (2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of (2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide?
The InChIKey is AFRHBSITIMTFKE-MELADBBJSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9(2)7-12(16)15(19)17-14-11-6-4-3-5-10(11)8-13(14)18/h3-6,9,12-14,18H,7-8,16H2,1-2H3,(H,17,19)/t12-,13-,14+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide?
(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide has a molecular weight of 262.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide is sourced from PubChem (CID 107222220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).