3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid

C14H26N2O3 — CID 62215529

IUPAC3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
SMILESCC(C)C[C@H](N)C(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-10(2)9-12(15)14(19)16-7-5-11(6-8-16)3-4-13(17)18/h10-12H,3-9,15H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyCICJWKQBAXTEHL-LBPRGKRZSA-N
MW270.37 g/mol
LogP1.46
Rot. Bonds6

About 3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid

3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid (PubChem CID 62215529) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
PubChem CID62215529
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
SMILESCC(C)C[C@H](N)C(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-10(2)9-12(15)14(19)16-7-5-11(6-8-16)3-4-13(17)18/h10-12H,3-9,15H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyCICJWKQBAXTEHL-LBPRGKRZSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

3-[1-(2,4-diamino-4-oxobutanoyl)piperidin-4-yl]propanoic acid
CID 62215546
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119852066
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200
3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid
CID 103870649
(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 122080878
(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103812979
3-[1-(2-methoxypropanoyl)piperidin-4-yl]propanoic acid
CID 112568653
2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 119798033
(2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119899190
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
(2S)-2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 64596670
(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 93469877

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid (CID 62215529) is 3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid is CC(C)C[C@H](N)C(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid?
The InChIKey is CICJWKQBAXTEHL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)9-12(15)14(19)16-7-5-11(6-8-16)3-4-13(17)18/h10-12H,3-9,15H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid?
3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62215529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).