(2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid

C14H25NO4 — CID 95278489

IUPAC(2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid
SMILESCCC[C@](C)(NC(=O)CC[C@@H]1CCCCO1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-3-9-14(2,13(17)18)15-12(16)8-7-11-6-4-5-10-19-11/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)/t11-,14-/m0/s1
InChIKeyAGXBIKGFTOAIHF-FZMZJTMJSA-N
MW271.36 g/mol
LogP2.10
Rot. Bonds7

About (2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid

(2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid (PubChem CID 95278489) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid
PubChem CID95278489
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid
SMILESCCC[C@](C)(NC(=O)CC[C@@H]1CCCCO1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-3-9-14(2,13(17)18)15-12(16)8-7-11-6-4-5-10-19-11/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)/t11-,14-/m0/s1
InChIKeyAGXBIKGFTOAIHF-FZMZJTMJSA-N
XLogP2.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-Trifluoro-2-methyl-2-[3-(oxan-2-yl)propanoylamino]propanoic acid
CID 79795395
3,3,3-Trifluoro-2-methyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 79795575
Methyl 1-[(3-hydroxycyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 59701380
1-[2-(2-Methylpropoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 69327787
tert-butyl 2-[[(1S,3R)-3-hydroxycyclohexanecarbonyl]amino]-2-methylbutanoate
CID 69494299
tert-butyl (2S)-2-[[(1R,3S)-3-hydroxycyclohexanecarbonyl]amino]-2-methylbutanoate
CID 90782752
Tert-butyl 2-[(3-hydroxycyclohexanecarbonyl)amino]-2-methylbutanoate
CID 21082797
1-(Oxane-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 28779341
1-[(tetrahydro-2H-pyran-4-ylcarbonyl)amino]cyclopentanecarboxylic acid
CID 43151408
4-Ethyl-1-(oxane-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 43163159
1-[3-(Oxolan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 43169390
2-Cyclopropyl-2-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 43172521

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid?
The IUPAC name of (2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid (CID 95278489) is (2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid is CCC[C@](C)(NC(=O)CC[C@@H]1CCCCO1)C(=O)O.
What is the InChIKey of (2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid?
The InChIKey is AGXBIKGFTOAIHF-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-9-14(2,13(17)18)15-12(16)8-7-11-6-4-5-10-19-11/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)/t11-,14-/m0/s1.
What are the key properties of (2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid?
(2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid is sourced from PubChem (CID 95278489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).