(2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate

C15H20NO4- — CID 7020253

IUPAC(2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate
SMILESCC(C)(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]
InChIInChI=1S/C15H21NO4/c1-15(2,3)9-12(13(17)18)16-14(19)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/p-1/t12-/m1/s1
InChIKeyARVUWUDYYMENSJ-GFCCVEGCSA-M
MW278.33 g/mol
LogP1.47
Rot. Bonds5

About (2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate

(2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 7020253) has the molecular formula C15H20NO4- and a molecular weight of 278.33 g/mol. Its IUPAC name is (2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Name(2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate
PubChem CID7020253
Molecular FormulaC15H20NO4-
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate
SMILESCC(C)(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]
InChIInChI=1S/C15H21NO4/c1-15(2,3)9-12(13(17)18)16-14(19)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/p-1/t12-/m1/s1
InChIKeyARVUWUDYYMENSJ-GFCCVEGCSA-M
XLogP1.47
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate 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

(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 6920101
4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoate
CID 53448599
sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 23678665
(2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate
CID 7010615
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
dilithium;(2S)-4,4-dimethyl-2-[[(2S)-4-methyl-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoate
CID 118731689
(2R)-2-(phenylmethoxycarbonylamino)-3-phenylmethoxycarbonylsulfanylpropanoate
CID 7021868
benzyl N-(4,4-dimethyl-3-oxo-1-phenylpentan-2-yl)carbamate
CID 59862824
(2S)-5,5,5-trifluoro-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 129067966
methyl (2S)-3-(2,2-dimethylpropoxy)-2-(phenylmethoxycarbonylamino)propanoate
CID 69349416
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
(3S)-2,2-dimethyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 91182663

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of (2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate (CID 7020253) is (2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for (2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for (2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate is CC(C)(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-].
What is the InChIKey of (2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is ARVUWUDYYMENSJ-GFCCVEGCSA-M. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)9-12(13(17)18)16-14(19)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/p-1/t12-/m1/s1.
What are the key properties of (2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate?
(2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 278.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 7020253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).