(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid

C12H20N2O5 — CID 107834670

IUPAC(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCC(=O)N1CCCC(C(=O)NCC[C@H](O)C(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-8(15)14-6-2-3-9(7-14)11(17)13-5-4-10(16)12(18)19/h9-10,16H,2-7H2,1H3,(H,13,17)(H,18,19)/t9?,10-/m0/s1
InChIKeySRYLLEXQNKAVNG-AXDSSHIGSA-N
MW272.30 g/mol
LogP-0.80
Rot. Bonds5

About (2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid

(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 107834670) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
PubChem CID107834670
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCC(=O)N1CCCC(C(=O)NCC[C@H](O)C(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-8(15)14-6-2-3-9(7-14)11(17)13-5-4-10(16)12(18)19/h9-10,16H,2-7H2,1H3,(H,13,17)(H,18,19)/t9?,10-/m0/s1
InChIKeySRYLLEXQNKAVNG-AXDSSHIGSA-N
XLogP-0.80
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107833948
4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107831751
(2S)-4-(cycloheptanecarbonylamino)-2-hydroxybutanoic acid
CID 107834810
methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate
CID 103958143
2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid
CID 79457879
1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 110686073
tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 94813303
(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80748785
4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107837748
1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 115701327
N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
CID 111429215
(3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide
CID 97197580

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid (CID 107834670) is (2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid is CC(=O)N1CCCC(C(=O)NCC[C@H](O)C(=O)O)C1.
What is the InChIKey of (2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid?
The InChIKey is SRYLLEXQNKAVNG-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-8(15)14-6-2-3-9(7-14)11(17)13-5-4-10(16)12(18)19/h9-10,16H,2-7H2,1H3,(H,13,17)(H,18,19)/t9?,10-/m0/s1.
What are the key properties of (2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid?
(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 272.30 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107834670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).