1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid

C14H26N2O3 — CID 55164336

IUPAC1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC(C)[C@H](N)C(=O)N1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-10(3)11(15)12(17)16-8-6-7-14(5-2,9-16)13(18)19/h10-11H,4-9,15H2,1-3H3,(H,18,19)/t10?,11-,14?/m0/s1
InChIKeyAIKMNPMLJUBQHB-CVZZAPKMSA-N
MW270.37 g/mol
LogP1.46
Rot. Bonds5

About 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid

1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid (PubChem CID 55164336) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid
PubChem CID55164336
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC(C)[C@H](N)C(=O)N1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-10(3)11(15)12(17)16-8-6-7-14(5-2,9-16)13(18)19/h10-11H,4-9,15H2,1-3H3,(H,18,19)/t10?,11-,14?/m0/s1
InChIKeyAIKMNPMLJUBQHB-CVZZAPKMSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 106112823
2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119784774
1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 83147613
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136901
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid
CID 63138201
(2S,3S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 63160102
(2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 107219570
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one
CID 62931087
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
1-[2-(aminomethyl)-3-methylbutanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 65228357

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid (CID 55164336) is 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid is CCC(C)[C@H](N)C(=O)N1CCCC(CC)(C(=O)O)C1.
What is the InChIKey of 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is AIKMNPMLJUBQHB-CVZZAPKMSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-10(3)11(15)12(17)16-8-6-7-14(5-2,9-16)13(18)19/h10-11H,4-9,15H2,1-3H3,(H,18,19)/t10?,11-,14?/m0/s1.
What are the key properties of 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid?
1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 55164336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).