2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide

C15H22N2O3 — CID 107222299

IUPAC2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C15H22N2O3/c1-20-8-4-7-12(16)15(19)17-14-11-6-3-2-5-10(11)9-13(14)18/h2-3,5-6,12-14,18H,4,7-9,16H2,1H3,(H,17,19)/t12?,13-,14+/m0/s1
InChIKeyCDLONGGXLRXMFR-KFTPUPIBSA-N
MW278.35 g/mol
LogP0.51
Rot. Bonds6

About 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide

2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide (PubChem CID 107222299) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide
PubChem CID107222299
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C15H22N2O3/c1-20-8-4-7-12(16)15(19)17-14-11-6-3-2-5-10(11)9-13(14)18/h2-3,5-6,12-14,18H,4,7-9,16H2,1H3,(H,17,19)/t12?,13-,14+/m0/s1
InChIKeyCDLONGGXLRXMFR-KFTPUPIBSA-N
XLogP0.51
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
CID 107222220
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
5-amino-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 77313664
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 61367021
2-amino-3-methoxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120993734
benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 15896226
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
2-amino-N-(2,3-dihydro-1H-inden-2-yl)hexanamide
CID 107842684
(2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid
CID 103871010

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide (CID 107222299) is 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide is COCCCC(N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide?
The InChIKey is CDLONGGXLRXMFR-KFTPUPIBSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-8-4-7-12(16)15(19)17-14-11-6-3-2-5-10(11)9-13(14)18/h2-3,5-6,12-14,18H,4,7-9,16H2,1H3,(H,17,19)/t12?,13-,14+/m0/s1.
What are the key properties of 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide?
2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide has a molecular weight of 278.35 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide is sourced from PubChem (CID 107222299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).