(2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid

C15H26N2O4 — CID 97338754

IUPAC(2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid
SMILESCCCC(=O)N1CCCC[C@H]1C(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-7-11(15(20)21)16-14(19)12-9-5-6-10-17(12)13(18)8-4-2/h11-12H,3-10H2,1-2H3,(H,16,19)(H,20,21)/t11-,12+/m1/s1
InChIKeyAVRRIANEXIUMJR-NEPJUHHUSA-N
MW298.38 g/mol
LogP1.54
Rot. Bonds7

About (2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid

(2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid (PubChem CID 97338754) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid
PubChem CID97338754
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name(2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid
SMILESCCCC(=O)N1CCCC[C@H]1C(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-7-11(15(20)21)16-14(19)12-9-5-6-10-17(12)13(18)8-4-2/h11-12H,3-10H2,1-2H3,(H,16,19)(H,20,21)/t11-,12+/m1/s1
InChIKeyAVRRIANEXIUMJR-NEPJUHHUSA-N
XLogP1.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2-[(1-butanoylpiperidine-2-carbonyl)amino]hex-4-enoic acid
CID 120692821
3-[(1-butanoylpiperidine-2-carbonyl)amino]butanoic acid
CID 119221180
(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566579
(2S)-2-[[(2S)-1-[2-(butylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 142945754
(2S)-2-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-3-hydroxypentanedioic acid
CID 174901808
(2S)-2-[(1-butanoylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614310
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
(2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107145793
(2S)-2-[[(3S)-1-butanoylpiperidine-3-carbonyl]amino]heptanoic acid
CID 97337442
2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 18221121
(2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
CID 94033051
2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 18221870

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid (CID 97338754) is (2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid is CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H](CCC)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid?
The InChIKey is AVRRIANEXIUMJR-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-7-11(15(20)21)16-14(19)12-9-5-6-10-17(12)13(18)8-4-2/h11-12H,3-10H2,1-2H3,(H,16,19)(H,20,21)/t11-,12+/m1/s1.
What are the key properties of (2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid?
(2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 97338754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).