(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid

C14H26N2O3 — CID 62210939

IUPAC(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CCC1CCNCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)9-12(14(18)19)16-13(17)4-3-11-5-7-15-8-6-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyJUJNHYBBAJEJAG-LBPRGKRZSA-N
MW270.37 g/mol
LogP1.38
Rot. Bonds7

About (2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid

(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid (PubChem CID 62210939) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid
PubChem CID62210939
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CCC1CCNCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)9-12(14(18)19)16-13(17)4-3-11-5-7-15-8-6-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyJUJNHYBBAJEJAG-LBPRGKRZSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid
CID 55049718
(2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid
CID 78953665
5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid
CID 65493929
N-butan-2-yl-3-piperidin-4-ylpropanamide
CID 62210305
2-methyl-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 80539959
N-ethyl-2-(3-piperidin-4-ylpropanoylamino)propanamide
CID 55049239
N-[(1R)-1-cyclopentylethyl]-3-piperidin-4-ylpropanamide
CID 81390674
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid
CID 61136657
(2S)-2-(pentanoylamino)-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid
CID 15463670
N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide
CID 81386056
methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate
CID 531445

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid (CID 62210939) is (2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid is CC(C)C[C@H](NC(=O)CCC1CCNCC1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid?
The InChIKey is JUJNHYBBAJEJAG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)9-12(14(18)19)16-13(17)4-3-11-5-7-15-8-6-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid?
(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid is sourced from PubChem (CID 62210939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).