2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid

C14H19NO5 — CID 13391120

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid
SMILESCC(C)(C)OC(=O)NC(OCc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-11(12(16)17)19-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyBAMNGPZYLWSFKP-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.14
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid (PubChem CID 13391120) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid
PubChem CID13391120
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid
SMILESCC(C)(C)OC(=O)NC(OCc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-11(12(16)17)19-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyBAMNGPZYLWSFKP-UHFFFAOYSA-N
XLogP2.14
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
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

(2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-bis(phenylmethoxy)butanoic acid
CID 57287716
(2S)-3-[[hydroxy(phenylmethoxy)methyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 143011465
tert-butyl N-(5,5-dimethyl-4-oxo-2-phenylmethoxyhexan-3-yl)carbamate
CID 165468060
tert-butyl N-[(2S,3S)-1-amino-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
CID 7035922
2-deuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid
CID 140843249
(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxybutanoic acid
CID 121366415
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
tert-butyl N-[1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
CID 66639988
tert-butyl N-(6-methyl-4-oxo-2-phenylmethoxyheptan-3-yl)carbamate
CID 165464974
methyl (2S,3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxybutanoate
CID 102008940

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid (CID 13391120) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid is CC(C)(C)OC(=O)NC(OCc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid?
The InChIKey is BAMNGPZYLWSFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-11(12(16)17)19-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid has a molecular weight of 281.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid is sourced from PubChem (CID 13391120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).