2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid

C21H24N2O5 — CID 90120378

IUPAC2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid
SMILESCC(C)(C)OC(=O)N[C@@H](C(=O)NC(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O5/c1-21(2,3)28-20(27)23-16(14-10-6-4-7-11-14)18(24)22-17(19(25)26)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3,(H,22,24)(H,23,27)(H,25,26)/t16-,17?/m1/s1
InChIKeyKXWACANSQMINEB-TZHYSIJRSA-N
MW384.43 g/mol
LogP3.19
Rot. Bonds6

About 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid

2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid (PubChem CID 90120378) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid
PubChem CID90120378
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid
SMILESCC(C)(C)OC(=O)N[C@@H](C(=O)NC(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O5/c1-21(2,3)28-20(27)23-16(14-10-6-4-7-11-14)18(24)22-17(19(25)26)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3,(H,22,24)(H,23,27)(H,25,26)/t16-,17?/m1/s1
InChIKeyKXWACANSQMINEB-TZHYSIJRSA-N
XLogP3.19
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid with MolForge

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Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-(2-hydrazinyl-2-oxo-1-phenylethyl)carbamate
CID 546260
tert-butyl N-[2-(iodoamino)-2-oxo-1-phenylethyl]carbamate
CID 87741813
tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate
CID 110611851
tert-butyl N-[(1S)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 101461135
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
CID 15864552
tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate
CID 143420982
tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate
CID 110406811
(2S)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 159251854
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-propan-2-yloxyphenyl)acetic acid
CID 69144874
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]benzoic acid
CID 172731528
tert-butyl N-[2-(2-cyanopropan-2-ylamino)-2-oxo-1-phenylethyl]carbamate
CID 110605601

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid (CID 90120378) is 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid is CC(C)(C)OC(=O)N[C@@H](C(=O)NC(C(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid?
The InChIKey is KXWACANSQMINEB-TZHYSIJRSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-21(2,3)28-20(27)23-16(14-10-6-4-7-11-14)18(24)22-17(19(25)26)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3,(H,22,24)(H,23,27)(H,25,26)/t16-,17?/m1/s1.
What are the key properties of 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid?
2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid has a molecular weight of 384.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 90120378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).