2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid

C14H18N2O4 — CID 43387473

IUPAC2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
SMILESCC(C)c1ccc(C(=O)NCC(=O)NCC(=O)O)cc1
InChIInChI=1S/C14H18N2O4/c1-9(2)10-3-5-11(6-4-10)14(20)16-7-12(17)15-8-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)
InChIKeyORUIVPQAQFKAMV-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.74
Rot. Bonds6

About 2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid

2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid (PubChem CID 43387473) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
PubChem CID43387473
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
SMILESCC(C)c1ccc(C(=O)NCC(=O)NCC(=O)O)cc1
InChIInChI=1S/C14H18N2O4/c1-9(2)10-3-5-11(6-4-10)14(20)16-7-12(17)15-8-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)
InChIKeyORUIVPQAQFKAMV-UHFFFAOYSA-N
XLogP0.74
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid
CID 3478136
2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
CID 43465277
2-[[2-[(4-methylsulfanylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387687
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide
CID 64992078
methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate
CID 164863189
2-[(3-propan-2-ylbenzoyl)amino]acetic acid
CID 90058974
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 10325079
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate
CID 108570352
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid (CID 43387473) is 2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid is CC(C)c1ccc(C(=O)NCC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid?
The InChIKey is ORUIVPQAQFKAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(2)10-3-5-11(6-4-10)14(20)16-7-12(17)15-8-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,20)(H,18,19).
What are the key properties of 2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid?
2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43387473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).