(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid

C11H18N2O5 — CID 80748785

IUPAC(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCC(=O)N1CCCC(C(=O)N[C@H](CO)C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-7(15)13-4-2-3-8(5-13)10(16)12-9(6-14)11(17)18/h8-9,14H,2-6H2,1H3,(H,12,16)(H,17,18)/t8?,9-/m1/s1
InChIKeySBVURYFOKFYHGW-YGPZHTELSA-N
MW258.27 g/mol
LogP-1.19
Rot. Bonds4

About (2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid

(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 80748785) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID80748785
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCC(=O)N1CCCC(C(=O)N[C@H](CO)C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-7(15)13-4-2-3-8(5-13)10(16)12-9(6-14)11(17)18/h8-9,14H,2-6H2,1H3,(H,12,16)(H,17,18)/t8?,9-/m1/s1
InChIKeySBVURYFOKFYHGW-YGPZHTELSA-N
XLogP-1.19
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243104
1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43418422
(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 114005009
3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 43357770
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 43630634
1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 103801448
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid
CID 81077471
(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119364788
4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
CID 61244034
(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834670
(2S)-2-[(1-butanoylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614310
(2S)-2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 55003085

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid (CID 80748785) is (2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid is CC(=O)N1CCCC(C(=O)N[C@H](CO)C(=O)O)C1.
What is the InChIKey of (2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is SBVURYFOKFYHGW-YGPZHTELSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7(15)13-4-2-3-8(5-13)10(16)12-9(6-14)11(17)18/h8-9,14H,2-6H2,1H3,(H,12,16)(H,17,18)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid?
(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 258.27 g/mol, XLogP of -1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80748785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).