1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid

C15H28N2O3 — CID 104903455

IUPAC1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)[C@H](N)CC(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-4-5-15(14(19)20)6-8-17(9-7-15)13(18)12(16)10-11(2)3/h11-12H,4-10,16H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyIYJMXRBJQMNEHX-GFCCVEGCSA-N
MW284.40 g/mol
LogP1.85
Rot. Bonds6

About 1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid

1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 104903455) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID104903455
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)[C@H](N)CC(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-4-5-15(14(19)20)6-8-17(9-7-15)13(18)12(16)10-11(2)3/h11-12H,4-10,16H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyIYJMXRBJQMNEHX-GFCCVEGCSA-N
XLogP1.85
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic 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

1-[(2R)-2-amino-4-methylpentanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 104903454
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-[2-(aminomethyl)pentanoyl]-4-propylpiperidine-4-carboxylic acid
CID 65228065
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144084
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
(2S)-2-amino-1-(4,4-dimethylazepan-1-yl)-4-methylpentan-1-one
CID 65281035
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63125470
(2S)-2-amino-1-(4-hydroxy-4-methylazepan-1-yl)-4-methylpentan-1-one
CID 107404240

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid (CID 104903455) is 1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)[C@H](N)CC(C)C)CC1.
What is the InChIKey of 1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is IYJMXRBJQMNEHX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-5-15(14(19)20)6-8-17(9-7-15)13(18)12(16)10-11(2)3/h11-12H,4-10,16H2,1-3H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid?
1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 104903455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).