2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid

C15H18N2O4 — CID 62695043

IUPAC2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESCC(=O)c1ccccc1NC(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C15H18N2O4/c1-9(18)11-4-2-3-5-12(11)17-13(19)8-16-14(15(20)21)10-6-7-10/h2-5,10,14,16H,6-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyKNQWZKPDBSMCMC-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.28
Rot. Bonds7

About 2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid

2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid (PubChem CID 62695043) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
PubChem CID62695043
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESCC(=O)c1ccccc1NC(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C15H18N2O4/c1-9(18)11-4-2-3-5-12(11)17-13(19)8-16-14(15(20)21)10-6-7-10/h2-5,10,14,16H,6-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyKNQWZKPDBSMCMC-UHFFFAOYSA-N
XLogP1.28
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid
CID 62696962
2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697185
N-(2-acetylphenyl)-2-(benzhydrylamino)acetamide
CID 7971269
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697159
N-(2-acetylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393487
2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 62696180
N-(2-acetylphenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086100
N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336592
N-(2-acetylphenyl)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9331826
N-(2-acetylphenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 30891872
2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695436
N-(2-acetylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254442

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid (CID 62695043) is 2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid is CC(=O)c1ccccc1NC(=O)CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The InChIKey is KNQWZKPDBSMCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9(18)11-4-2-3-5-12(11)17-13(19)8-16-14(15(20)21)10-6-7-10/h2-5,10,14,16H,6-8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62695043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).