2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid

C16H20N2O4 — CID 120521115

IUPAC2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)NC(C(=O)O)C2CC2)cc1C
InChIInChI=1S/C16H20N2O4/c1-9-3-4-12(7-10(9)2)15(20)17-8-13(19)18-14(16(21)22)11-5-6-11/h3-4,7,11,14H,5-6,8H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyFAKJCEWHKNPHHK-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.01
Rot. Bonds6

About 2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid

2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid (PubChem CID 120521115) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid
PubChem CID120521115
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)NC(C(=O)O)C2CC2)cc1C
InChIInChI=1S/C16H20N2O4/c1-9-3-4-12(7-10(9)2)15(20)17-8-13(19)18-14(16(21)22)11-5-6-11/h3-4,7,11,14H,5-6,8H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyFAKJCEWHKNPHHK-UHFFFAOYSA-N
XLogP1.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 62697537
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]propanoic acid
CID 120523616
2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 62696891
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 120534617
2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid
CID 62695176
2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 62694994
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 46559225
2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid
CID 62695902
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 46432021
2-[[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]methyl]-4-methylpentanoic acid
CID 120528480

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid (CID 120521115) is 2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid is Cc1ccc(C(=O)NCC(=O)NC(C(=O)O)C2CC2)cc1C.
What is the InChIKey of 2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid?
The InChIKey is FAKJCEWHKNPHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-9-3-4-12(7-10(9)2)15(20)17-8-13(19)18-14(16(21)22)11-5-6-11/h3-4,7,11,14H,5-6,8H2,1-2H3,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid has a molecular weight of 304.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 120521115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).