(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid

C14H19NO4 — CID 51683257

IUPAC(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESCCC[C@](C)(NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-9-14(2,12(16)17)15-13(18)19-10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,18)(H,16,17)/t14-/m0/s1
InChIKeyCIOGKEQCFUQKIF-AWEZNQCLSA-N
MW265.31 g/mol
LogP2.56
Rot. Bonds6

About (2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid

(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 51683257) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID51683257
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESCCC[C@](C)(NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-9-14(2,12(16)17)15-13(18)19-10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,18)(H,16,17)/t14-/m0/s1
InChIKeyCIOGKEQCFUQKIF-AWEZNQCLSA-N
XLogP2.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-chloro-2-methyl-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 87094408
(3S)-3-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 146168448
benzyl N-[(2S)-1-iodo-2-methyl-3-oxobutan-2-yl]carbamate
CID 170047674
(2S)-4,4-difluoro-2-methyl-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 66660816
4-[[3-carboxy-3-(phenylmethoxycarbonylamino)butyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
CID 101043485
benzyl N-(1-bromo-3-methyl-2-oxopentan-3-yl)carbamate
CID 104701636
methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
CID 118284148
methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 140762631
benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11152854
methyl (2S)-5,5-dichloro-2-methyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 167527436
(2S)-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)octanoic acid
CID 102156457
benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of (2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (CID 51683257) is (2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid is CCC[C@](C)(NC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is CIOGKEQCFUQKIF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-9-14(2,12(16)17)15-13(18)19-10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,18)(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid?
(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 51683257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).