1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone

C7H14N2O2 — CID 177028160

IUPAC1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(O)C[C@H]1CN
InChIInChI=1S/C7H14N2O2/c1-5(10)9-4-7(11)2-6(9)3-8/h6-7,11H,2-4,8H2,1H3/t6-,7?/m0/s1
InChIKeyNOPMRVPISMNEGQ-PKPIPKONSA-N
MW158.20 g/mol
LogP-1.07
Rot. Bonds1

About 1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone

1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 177028160) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone
PubChem CID177028160
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(O)C[C@H]1CN
InChIInChI=1S/C7H14N2O2/c1-5(10)9-4-7(11)2-6(9)3-8/h6-7,11H,2-4,8H2,1H3/t6-,7?/m0/s1
InChIKeyNOPMRVPISMNEGQ-PKPIPKONSA-N
XLogP-1.07
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4r)-1-Acetyl-4-Hydroxy-N-Methyl-L-Prolinamide
CID 10797632
2-Acetamido-1,4-imino-1,2,4-trideoxy-L-arabinitol
CID 16726082
N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 16726083
5-(Aminomethyl)-1-methylpyrrolidin-3-ol
CID 22731064
N-[[(3R,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]methyl]acetamide
CID 132092666
(2S,4R)-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 23535509
5-(Aminomethyl)-1-ethylpyrrolidin-3-ol
CID 58858732
2-fluoro-N-[[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide
CID 70307033
2-fluoro-N-[[(2S,4S)-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpropanamide
CID 70307904
N-[[(2S,3R,4S)-1-butyl-3,4-dihydroxypyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide
CID 87387946
N-((3S,4R,5S)-1-butyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl)acetamide
CID 67407021
N-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide
CID 135056543

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone (CID 177028160) is 1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone is CC(=O)N1CC(O)C[C@H]1CN.
What is the InChIKey of 1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is NOPMRVPISMNEGQ-PKPIPKONSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(10)9-4-7(11)2-6(9)3-8/h6-7,11H,2-4,8H2,1H3/t6-,7?/m0/s1.
What are the key properties of 1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone?
1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 158.20 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 177028160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).