2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid

C16H23NO4 — CID 57126897

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid
SMILESC[C@H](Cc1ccccc1)N(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO4/c1-12(10-13-8-6-5-7-9-13)17(11-14(18)19)15(20)21-16(2,3)4/h5-9,12H,10-11H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyHUMXIOJACJKGAH-GFCCVEGCSA-N
MW293.36 g/mol
LogP2.94
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid

2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid (PubChem CID 57126897) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid
PubChem CID57126897
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid
SMILESC[C@H](Cc1ccccc1)N(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO4/c1-12(10-13-8-6-5-7-9-13)17(11-14(18)19)15(20)21-16(2,3)4/h5-9,12H,10-11H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyHUMXIOJACJKGAH-GFCCVEGCSA-N
XLogP2.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-oxido-N-(1-phenylpropan-2-yl)carbamate
CID 87963994
(3R)-3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoic acid;2,2,2-trifluoroacetic acid
CID 159062174
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid
CID 11109126
tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate
CID 130815225
2-[(2-methylpropan-2-yl)oxycarbonyl-[(2S)-pent-4-en-2-yl]amino]acetic acid
CID 134594143
tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 10494880
tert-butyl 2-methyl-3-phenylpropanoate;propane
CID 145135005
methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 14200640
2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]acetic acid
CID 124523787
tert-butyl N-(2-oxoethyl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 57003733
tert-butyl N-amino-N-[(2R)-2-amino-3-phenylpropanoyl]carbamate
CID 154179314

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid (CID 57126897) is 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid is C[C@H](Cc1ccccc1)N(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid?
The InChIKey is HUMXIOJACJKGAH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(10-13-8-6-5-7-9-13)17(11-14(18)19)15(20)21-16(2,3)4/h5-9,12H,10-11H2,1-4H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid is sourced from PubChem (CID 57126897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).