2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid

C15H20N2O3 — CID 61194123

IUPAC2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid
SMILESCCN(C(=O)N(CC(=O)O)c1ccc(C)cc1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-3-16(12-8-9-12)15(20)17(10-14(18)19)13-6-4-11(2)5-7-13/h4-7,12H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyUXZWBHLTALXTDV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.49
Rot. Bonds5

About 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid

2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid (PubChem CID 61194123) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid
PubChem CID61194123
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid
SMILESCCN(C(=O)N(CC(=O)O)c1ccc(C)cc1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-3-16(12-8-9-12)15(20)17(10-14(18)19)13-6-4-11(2)5-7-13/h4-7,12H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyUXZWBHLTALXTDV-UHFFFAOYSA-N
XLogP2.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid
CID 61194308
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947
2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid
CID 61206742
2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid
CID 63700444
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457
2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 62003076
2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid
CID 65059121
2-[N-(cyclohex-3-ene-1-carbonyl)-4-methylanilino]acetic acid
CID 60832118
2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid
CID 81324454
2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid
CID 61198585
2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
CID 103513169

Frequently Asked Questions

What is the IUPAC name of 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid?
The IUPAC name of 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid (CID 61194123) is 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid?
The canonical SMILES for 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid is CCN(C(=O)N(CC(=O)O)c1ccc(C)cc1)C1CC1.
What is the InChIKey of 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid?
The InChIKey is UXZWBHLTALXTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-16(12-8-9-12)15(20)17(10-14(18)19)13-6-4-11(2)5-7-13/h4-7,12H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid?
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid is sourced from PubChem (CID 61194123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).