(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid

C17H29N3O4 — CID 119364788

IUPAC(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CCCN(C(=O)N2CCCC2)C1)C(=O)O
InChIInChI=1S/C17H29N3O4/c1-12(2)10-14(16(22)23)18-15(21)13-6-5-9-20(11-13)17(24)19-7-3-4-8-19/h12-14H,3-11H2,1-2H3,(H,18,21)(H,22,23)/t13?,14-/m1/s1
InChIKeyUUELNBQDTBTDKA-ARLHGKGLSA-N
MW339.44 g/mol
LogP1.53
Rot. Bonds5

About (2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid

(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid (PubChem CID 119364788) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid
PubChem CID119364788
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CCCN(C(=O)N2CCCC2)C1)C(=O)O
InChIInChI=1S/C17H29N3O4/c1-12(2)10-14(16(22)23)18-15(21)13-6-5-9-20(11-13)17(24)19-7-3-4-8-19/h12-14H,3-11H2,1-2H3,(H,18,21)(H,22,23)/t13?,14-/m1/s1
InChIKeyUUELNBQDTBTDKA-ARLHGKGLSA-N
XLogP1.53
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
(2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119363635
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
(2R)-4-methyl-2-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119363661
(2R)-4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 78975931
(2S)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61185431
(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80748785
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 43630634
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243104
(2S)-2-[(3-fluorocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 122126117
(2S)-2-[[3,5-bis[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 132574091

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid (CID 119364788) is (2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid is CC(C)C[C@@H](NC(=O)C1CCCN(C(=O)N2CCCC2)C1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is UUELNBQDTBTDKA-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-12(2)10-14(16(22)23)18-15(21)13-6-5-9-20(11-13)17(24)19-7-3-4-8-19/h12-14H,3-11H2,1-2H3,(H,18,21)(H,22,23)/t13?,14-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 339.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119364788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).