1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid

C15H28N2O3 — CID 18446234

IUPAC1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid
SMILESCCCC1CCN(C(=O)C(N)C(C)CC)C(C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-4-6-11-7-8-17(12(9-11)15(19)20)14(18)13(16)10(3)5-2/h10-13H,4-9,16H2,1-3H3,(H,19,20)
InChIKeyVUNULZPFOIVEIY-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.85
Rot. Bonds6

About 1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid

1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid (PubChem CID 18446234) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid
PubChem CID18446234
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid
SMILESCCCC1CCN(C(=O)C(N)C(C)CC)C(C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-4-6-11-7-8-17(12(9-11)15(19)20)14(18)13(16)10(3)5-2/h10-13H,4-9,16H2,1-3H3,(H,19,20)
InChIKeyVUNULZPFOIVEIY-UHFFFAOYSA-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

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Related Compounds

1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid
CID 18446235
(2R)-1-[(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 129360484
1-[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 167995084
(2S,4R)-1-[(2S)-2-amino-3-methylpentanoyl]-N-[(1R)-2-methyl-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-propylpiperidine-2-carboxamide
CID 58840487
(2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one
CID 83052045
3-(2-amino-3-methylpentanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157451
methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 18411452
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 103871148
(2S,3S)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-methylpentan-1-one
CID 103833366
1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114429643
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
1-[(2S)-2-amino-3-methylpentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 61174640

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid (CID 18446234) is 1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid is CCCC1CCN(C(=O)C(N)C(C)CC)C(C(=O)O)C1.
What is the InChIKey of 1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid?
The InChIKey is VUNULZPFOIVEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-6-11-7-8-17(12(9-11)15(19)20)14(18)13(16)10(3)5-2/h10-13H,4-9,16H2,1-3H3,(H,19,20).
What are the key properties of 1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid?
1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-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-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid is sourced from PubChem (CID 18446234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).