2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid

C13H14Cl2N2O3 — CID 62696976

IUPAC2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid
SMILESO=C(CNC(C(=O)O)C1CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O3/c14-9-4-3-8(5-10(9)15)17-11(18)6-16-12(13(19)20)7-1-2-7/h3-5,7,12,16H,1-2,6H2,(H,17,18)(H,19,20)
InChIKeyFGYBUUOYRQUBHC-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.38
Rot. Bonds6

About 2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid

2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 62696976) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid
PubChem CID62696976
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid
SMILESO=C(CNC(C(=O)O)C1CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O3/c14-9-4-3-8(5-10(9)15)17-11(18)6-16-12(13(19)20)7-1-2-7/h3-5,7,12,16H,1-2,6H2,(H,17,18)(H,19,20)
InChIKeyFGYBUUOYRQUBHC-UHFFFAOYSA-N
XLogP2.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 62696180
2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695436
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697159
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid
CID 62697078
2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid
CID 62695617
(2S)-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194812
N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401773
2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695043
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
3,3-dichloro-N-(3,4-dichlorophenyl)propanamide
CID 67062966
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 116652760

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid (CID 62696976) is 2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid is O=C(CNC(C(=O)O)C1CC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is FGYBUUOYRQUBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-9-4-3-8(5-10(9)15)17-11(18)6-16-12(13(19)20)7-1-2-7/h3-5,7,12,16H,1-2,6H2,(H,17,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 317.17 g/mol, XLogP of 2.38, 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-dichloroanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 62696976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).