(3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid

C14H19NO5 — CID 118276566

IUPAC(3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid
SMILESCC(O)[C@@](C)(CC(=O)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO5/c1-10(16)14(2,8-12(17)18)15-13(19)20-9-11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,15,19)(H,17,18)/t10?,14-/m1/s1
InChIKeyBEOZIKGNAFZSNB-LNUXAPHWSA-N
MW281.31 g/mol
LogP1.53
Rot. Bonds6

About (3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid

(3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 118276566) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID118276566
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid
SMILESCC(O)[C@@](C)(CC(=O)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO5/c1-10(16)14(2,8-12(17)18)15-13(19)20-9-11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,15,19)(H,17,18)/t10?,14-/m1/s1
InChIKeyBEOZIKGNAFZSNB-LNUXAPHWSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228
benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate
CID 11208783
(3S)-3,5-dimethyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 54094941
(3S)-3-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 146168448
benzyl N-[(3S,4S,5S)-5-hydroxy-3-methyl-4-phenylmethoxyhex-1-yn-3-yl]carbamate
CID 11394509
(2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 54087673
benzyl N-[(2S)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11068208
benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate
CID 126765970
lithium benzyl N-(2-methylbut-3-yn-2-yl)carbamate
CID 87939839
(2S)-4-chloro-2-methyl-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 87094408
tert-butyl (2S,3R)-3-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)-2-propan-2-ylpentanoate
CID 11068916
(3S)-2,2-dimethyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 91182663

Frequently Asked Questions

What is the IUPAC name of (3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of (3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid (CID 118276566) is (3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for (3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid is CC(O)[C@@](C)(CC(=O)O)NC(=O)OCc1ccccc1.
What is the InChIKey of (3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is BEOZIKGNAFZSNB-LNUXAPHWSA-N. The full InChI is InChI=1S/C14H19NO5/c1-10(16)14(2,8-12(17)18)15-13(19)20-9-11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,15,19)(H,17,18)/t10?,14-/m1/s1.
What are the key properties of (3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid?
(3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 118276566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).