2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid

C15H19NO5 — CID 82839614

IUPAC2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid
SMILESCN(C(=O)OCc1ccccc1)C(C(=O)O)C1CCCO1
InChIInChI=1S/C15H19NO5/c1-16(13(14(17)18)12-8-5-9-20-12)15(19)21-10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,17,18)
InChIKeySUPYNLXWKNLQDG-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.89
Rot. Bonds5

About 2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid

2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid (PubChem CID 82839614) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid
PubChem CID82839614
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid
SMILESCN(C(=O)OCc1ccccc1)C(C(=O)O)C1CCCO1
InChIInChI=1S/C15H19NO5/c1-16(13(14(17)18)12-8-5-9-20-12)15(19)21-10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,17,18)
InChIKeySUPYNLXWKNLQDG-UHFFFAOYSA-N
XLogP1.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-cyclopropyl-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 171702913
benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate
CID 167560867
benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate
CID 170255846
(3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104941294
benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate
CID 169233060
(2S,3R)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 14730227
benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid
CID 163373377
methyl 3-[oxolan-2-ylmethyl(phenylmethoxycarbonyl)amino]propanoate
CID 78964120
methyl 2-(oxan-2-yl)-4-phenylbutanoate
CID 175424806
benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate
CID 142383171
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
benzyl N,N-dimethylcarbamate
CID 12963450

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid?
The IUPAC name of 2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid (CID 82839614) is 2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid.
What is the SMILES notation for 2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid?
The canonical SMILES for 2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid is CN(C(=O)OCc1ccccc1)C(C(=O)O)C1CCCO1.
What is the InChIKey of 2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid?
The InChIKey is SUPYNLXWKNLQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-16(13(14(17)18)12-8-5-9-20-12)15(19)21-10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,17,18).
What are the key properties of 2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid?
2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phenylmethoxycarbonyl)amino]-2-(oxolan-2-yl)acetic acid is sourced from PubChem (CID 82839614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).