(2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid

C13H21N3O5 — CID 61144342

IUPAC(2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid
SMILESCC(=O)N1CCC(C(=O)N[C@@H](CCC(N)=O)C(=O)O)CC1
InChIInChI=1S/C13H21N3O5/c1-8(17)16-6-4-9(5-7-16)12(19)15-10(13(20)21)2-3-11(14)18/h9-10H,2-7H2,1H3,(H2,14,18)(H,15,19)(H,20,21)/t10-/m0/s1
InChIKeyWHSLTJSWOQDBBR-JTQLQIEISA-N
MW299.33 g/mol
LogP-0.92
Rot. Bonds6

About (2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid

(2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid (PubChem CID 61144342) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid
PubChem CID61144342
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name(2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid
SMILESCC(=O)N1CCC(C(=O)N[C@@H](CCC(N)=O)C(=O)O)CC1
InChIInChI=1S/C13H21N3O5/c1-8(17)16-6-4-9(5-7-16)12(19)15-10(13(20)21)2-3-11(14)18/h9-10H,2-7H2,1H3,(H2,14,18)(H,15,19)(H,20,21)/t10-/m0/s1
InChIKeyWHSLTJSWOQDBBR-JTQLQIEISA-N
XLogP-0.92
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-acetylpiperidine-4-carbonyl)amino]-4-sulfanylbutanoic acid
CID 114212494
2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 62478946
2-[(1-acetylpiperidine-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 108792200
5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid
CID 64766554
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573
(2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid
CID 107823552
(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114006040
(2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid
CID 110837241
(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61403013
(2S)-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 120615417
5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid
CID 43358672
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid?
The IUPAC name of (2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid (CID 61144342) is (2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid is CC(=O)N1CCC(C(=O)N[C@@H](CCC(N)=O)C(=O)O)CC1.
What is the InChIKey of (2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid?
The InChIKey is WHSLTJSWOQDBBR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O5/c1-8(17)16-6-4-9(5-7-16)12(19)15-10(13(20)21)2-3-11(14)18/h9-10H,2-7H2,1H3,(H2,14,18)(H,15,19)(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid?
(2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid has a molecular weight of 299.33 g/mol, XLogP of -0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid is sourced from PubChem (CID 61144342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).