2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid

C15H19NO5 — CID 11109126

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)C(=O)Cc1ccccc1
InChIInChI=1S/C15H19NO5/c1-15(2,3)21-14(20)16(10-13(18)19)12(17)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyYTMJZJYFQKXXSS-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.08
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid

2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid (PubChem CID 11109126) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid
PubChem CID11109126
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)C(=O)Cc1ccccc1
InChIInChI=1S/C15H19NO5/c1-15(2,3)21-14(20)16(10-13(18)19)12(17)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyYTMJZJYFQKXXSS-UHFFFAOYSA-N
XLogP2.08
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[(2-methylpropan-2-yl)oxycarbonyl-propanoylamino]acetate
CID 163815010
(4-nitrophenyl) 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetate
CID 11729363
2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid
CID 57126897
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558
[benzyl-(2-phenylacetyl)amino] 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 162403873
methyl 2-[2-benzylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 19011439
tert-butyl N-benzyl-N-formylcarbamate
CID 53419906
tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate
CID 139793857
tert-butyl N-benzyl-N-(3-phenylprop-2-enoyl)carbamate
CID 170993459
tert-butyl N-oxido-N-(1-phenylpropan-2-yl)carbamate
CID 87963994
2-[(2-phenylacetyl)-sulfanylamino]acetic acid
CID 174581957
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 175886823

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid (CID 11109126) is 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid is CC(C)(C)OC(=O)N(CC(=O)O)C(=O)Cc1ccccc1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid?
The InChIKey is YTMJZJYFQKXXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-15(2,3)21-14(20)16(10-13(18)19)12(17)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid is sourced from PubChem (CID 11109126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).