(2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid

C14H19NO5 — CID 54087673

IUPAC(2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESCC(C)C[C@](O)(NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO5/c1-10(2)8-14(19,12(16)17)15-13(18)20-9-11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t14-/m1/s1
InChIKeyMRPSYUXRLKBCHK-CQSZACIVSA-N
MW281.31 g/mol
LogP1.73
Rot. Bonds6

About (2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid

(2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 54087673) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID54087673
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESCC(C)C[C@](O)(NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO5/c1-10(2)8-14(19,12(16)17)15-13(18)20-9-11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t14-/m1/s1
InChIKeyMRPSYUXRLKBCHK-CQSZACIVSA-N
XLogP1.73
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S)-3,5-dimethyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 54094941
benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228
2-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-phenylbutanoic acid
CID 67735094
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate
CID 11208783
3,5-dimethyl-1H-pyrazole;2-hydroxy-5-methyl-2-(phenylmethoxycarbonylamino)hexanoic acid
CID 70047874
benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate
CID 126765970
4-amino-2-hydroxy-3-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 70141830
(3S)-2,2-dimethyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 91182663
(3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 118276566
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
methyl 2-hydroxy-3-oxo-2-(phenylmethoxycarbonylamino)butanoate
CID 101462496

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of (2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (CID 54087673) is (2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for (2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid is CC(C)C[C@](O)(NC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is MRPSYUXRLKBCHK-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19NO5/c1-10(2)8-14(19,12(16)17)15-13(18)20-9-11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t14-/m1/s1.
What are the key properties of (2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid?
(2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 54087673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).