(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one

C12H24N2O2 — CID 107146417

IUPAC(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C12H24N2O2/c1-3-4-5-11(13)12(16)14-7-6-10(8-14)9(2)15/h9-11,15H,3-8,13H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyHLADJHACRNXNEP-ILDUYXDCSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds5

About (2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one

(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one (PubChem CID 107146417) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
PubChem CID107146417
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C12H24N2O2/c1-3-4-5-11(13)12(16)14-7-6-10(8-14)9(2)15/h9-11,15H,3-8,13H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyHLADJHACRNXNEP-ILDUYXDCSA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 103942735
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
CID 103831247
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one
CID 103831470
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
CID 107145977
1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 93370949
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 115977074
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea
CID 175151370

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one?
The IUPAC name of (2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one (CID 107146417) is (2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one is CCCC[C@H](N)C(=O)N1CCC(C(C)O)C1.
What is the InChIKey of (2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one?
The InChIKey is HLADJHACRNXNEP-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-5-11(13)12(16)14-7-6-10(8-14)9(2)15/h9-11,15H,3-8,13H2,1-2H3/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one?
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one is sourced from PubChem (CID 107146417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).