(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid

C15H21NO4 — CID 11231294

IUPAC(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid
SMILESCC(C)(C)OC(=O)NCC[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-10-9-12(13(17)18)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKeyLJKXZQCKJUQMLW-GFCCVEGCSA-N
MW279.34 g/mol
LogP2.77
Rot. Bonds5

About (2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid

(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid (PubChem CID 11231294) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid
PubChem CID11231294
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid
SMILESCC(C)(C)OC(=O)NCC[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-10-9-12(13(17)18)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKeyLJKXZQCKJUQMLW-GFCCVEGCSA-N
XLogP2.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylphenyl)butanoic acid
CID 175539402
tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate
CID 115606965
2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20564816
tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate
CID 57222453
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(1-phenylethoxycarbonylamino)butanoic acid
CID 70257957
2-[(3-carboxy-3-phenylpropyl)amino]-4,4-dimethylpentanoic acid
CID 70072802
(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxybutanoic acid
CID 121366415
ethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-phenylbutanoate
CID 70546044
tert-butyl N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]carbamate
CID 169443071
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylmethoxyphenyl)propanoic acid
CID 175994952
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 174463288
tert-butyl N-[4-amino-5-(1-phenylethoxy)pentyl]carbamate
CID 68703119

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid?
The IUPAC name of (2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid (CID 11231294) is (2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid.
What is the SMILES notation for (2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid?
The canonical SMILES for (2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid is CC(C)(C)OC(=O)NCC[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid?
The InChIKey is LJKXZQCKJUQMLW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-10-9-12(13(17)18)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid?
(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid is sourced from PubChem (CID 11231294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).