1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide

C16H22N2O2 — CID 107222320

IUPAC1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
SMILESNCC1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCCC1
InChIInChI=1S/C16H22N2O2/c17-10-16(7-3-4-8-16)15(20)18-14-12-6-2-1-5-11(12)9-13(14)19/h1-2,5-6,13-14,19H,3-4,7-10,17H2,(H,18,20)/t13-,14+/m0/s1
InChIKeyPEGUUJSVRSXWOG-UONOGXRCSA-N
MW274.36 g/mol
LogP1.28
Rot. Bonds3

About 1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide (PubChem CID 107222320) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
PubChem CID107222320
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
SMILESNCC1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCCC1
InChIInChI=1S/C16H22N2O2/c17-10-16(7-3-4-8-16)15(20)18-14-12-6-2-1-5-11(12)9-13(14)19/h1-2,5-6,13-14,19H,3-4,7-10,17H2,(H,18,20)/t13-,14+/m0/s1
InChIKeyPEGUUJSVRSXWOG-UONOGXRCSA-N
XLogP1.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide
CID 107221770
1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
CID 107221819
1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide
CID 107221873
3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide
CID 107222234
4-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 103950748
N-(2-aminoethyl)-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 107211873
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107221780
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107180479
1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide
CID 115447459

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide (CID 107222320) is 1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide is NCC1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide?
The InChIKey is PEGUUJSVRSXWOG-UONOGXRCSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-10-16(7-3-4-8-16)15(20)18-14-12-6-2-1-5-11(12)9-13(14)19/h1-2,5-6,13-14,19H,3-4,7-10,17H2,(H,18,20)/t13-,14+/m0/s1.
What are the key properties of 1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 107222320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).