(2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid

C16H28N2O4 — CID 119363635

IUPAC(2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCCCC(=O)N1CCCC(C(=O)N[C@H](CC(C)C)C(=O)O)C1
InChIInChI=1S/C16H28N2O4/c1-4-6-14(19)18-8-5-7-12(10-18)15(20)17-13(16(21)22)9-11(2)3/h11-13H,4-10H2,1-3H3,(H,17,20)(H,21,22)/t12?,13-/m1/s1
InChIKeyFNBRMKAPUPEBHJ-ZGTCLIOFSA-N
MW312.41 g/mol
LogP1.64
Rot. Bonds7

About (2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 119363635) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID119363635
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name(2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCCCC(=O)N1CCCC(C(=O)N[C@H](CC(C)C)C(=O)O)C1
InChIInChI=1S/C16H28N2O4/c1-4-6-14(19)18-8-5-7-12(10-18)15(20)17-13(16(21)22)9-11(2)3/h11-13H,4-10H2,1-3H3,(H,17,20)(H,21,22)/t12?,13-/m1/s1
InChIKeyFNBRMKAPUPEBHJ-ZGTCLIOFSA-N
XLogP1.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(1-butanoylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614310
(2S)-2-[[(3S)-1-butanoylpiperidine-3-carbonyl]amino]heptanoic acid
CID 97337442
(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119364788
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165985
(2R)-4-methyl-2-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119363661
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 119212197
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 43630634
3-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219172
(2R)-4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 78975931

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid (CID 119363635) is (2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid is CCCC(=O)N1CCCC(C(=O)N[C@H](CC(C)C)C(=O)O)C1.
What is the InChIKey of (2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is FNBRMKAPUPEBHJ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-4-6-14(19)18-8-5-7-12(10-18)15(20)17-13(16(21)22)9-11(2)3/h11-13H,4-10H2,1-3H3,(H,17,20)(H,21,22)/t12?,13-/m1/s1.
What are the key properties of (2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 312.41 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119363635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).