(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid

C14H25N3O4 — CID 119243904

IUPAC(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N[C@H](C)C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-9(2)7-15-14(21)17-6-4-5-11(8-17)12(18)16-10(3)13(19)20/h9-11H,4-8H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)/t10-,11?/m1/s1
InChIKeyYGHXQJQSIAZZJG-NFJWQWPMSA-N
MW299.37 g/mol
LogP0.65
Rot. Bonds5

About (2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid

(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 119243904) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
PubChem CID119243904
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N[C@H](C)C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-9(2)7-15-14(21)17-6-4-5-11(8-17)12(18)16-10(3)13(19)20/h9-11H,4-8H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)/t10-,11?/m1/s1
InChIKeyYGHXQJQSIAZZJG-NFJWQWPMSA-N
XLogP0.65
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119506996
3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120650995
2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119208888
(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119526290
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119594752
(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95981578

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid (CID 119243904) is (2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid is CC(C)CNC(=O)N1CCCC(C(=O)N[C@H](C)C(=O)O)C1.
What is the InChIKey of (2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is YGHXQJQSIAZZJG-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-9(2)7-15-14(21)17-6-4-5-11(8-17)12(18)16-10(3)13(19)20/h9-11H,4-8H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)/t10-,11?/m1/s1.
What are the key properties of (2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid?
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119243904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).