(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid

C12H22N2O3 — CID 66263946

IUPAC(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid
SMILESCC(C)C[C@H](N)C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)7-9(13)11(15)14-6-4-3-5-10(14)12(16)17/h8-10H,3-7,13H2,1-2H3,(H,16,17)/t9-,10-/m0/s1
InChIKeyKVRZOUPVOBCDEC-UWVGGRQHSA-N
MW242.32 g/mol
LogP0.83
Rot. Bonds4

About (2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid

(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid (PubChem CID 66263946) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid
PubChem CID66263946
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid
SMILESCC(C)C[C@H](N)C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)7-9(13)11(15)14-6-4-3-5-10(14)12(16)17/h8-10H,3-7,13H2,1-2H3,(H,16,17)/t9-,10-/m0/s1
InChIKeyKVRZOUPVOBCDEC-UWVGGRQHSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-amino-4-methylpentanoyl)piperidine-2-carboxylic acid
CID 66263387
1-[(2R)-2-amino-4-methylpentanoyl]azepane-2-carboxylic acid
CID 103871063
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
(2R)-1-[(2S,3R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid
CID 145456526
1-[2-[[1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
CID 18300051
(2S)-2-amino-1-[2-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155952
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 56960027
methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 70062409
1-(2-amino-3-methylbutanoyl)azepane-2-carboxylic acid
CID 64562703
1-(2-amino-4-carboxybutanoyl)azepane-2-carboxylic acid
CID 64889557
(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
CID 103832803

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid (CID 66263946) is (2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid is CC(C)C[C@H](N)C(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid?
The InChIKey is KVRZOUPVOBCDEC-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)7-9(13)11(15)14-6-4-3-5-10(14)12(16)17/h8-10H,3-7,13H2,1-2H3,(H,16,17)/t9-,10-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid?
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66263946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).