2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid

C14H18N2O4 — CID 62696962

IUPAC2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid
SMILESCOc1ccccc1NC(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C14H18N2O4/c1-20-11-5-3-2-4-10(11)16-12(17)8-15-13(14(18)19)9-6-7-9/h2-5,9,13,15H,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyDPMKOZFHYMSXJR-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.09
Rot. Bonds7

About 2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid

2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 62696962) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid
PubChem CID62696962
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid
SMILESCOc1ccccc1NC(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C14H18N2O4/c1-20-11-5-3-2-4-10(11)16-12(17)8-15-13(14(18)19)9-6-7-9/h2-5,9,13,15H,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyDPMKOZFHYMSXJR-UHFFFAOYSA-N
XLogP1.09
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695043
2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697185
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 63298547
2-(butan-2-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43179381
2-cyclohexyl-2-(2-methoxyanilino)acetic acid
CID 54890828
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182
N-(2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392871
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697159
2-(cyclopentyloxyamino)-N-(2-methoxyphenyl)acetamide
CID 83228402
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998571
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 106133704
2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 62696180

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid (CID 62696962) is 2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid is COc1ccccc1NC(=O)CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is DPMKOZFHYMSXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-11-5-3-2-4-10(11)16-12(17)8-15-13(14(18)19)9-6-7-9/h2-5,9,13,15H,6-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 62696962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).