2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid

C14H16Cl2N2O3 — CID 62695617

IUPAC2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid
SMILESO=C(CCNC(C(=O)O)C1CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-9-3-4-10(16)11(7-9)18-12(19)5-6-17-13(14(20)21)8-1-2-8/h3-4,7-8,13,17H,1-2,5-6H2,(H,18,19)(H,20,21)
InChIKeyUAEUXABNYAUVSK-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.77
Rot. Bonds7

About 2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid

2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid (PubChem CID 62695617) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid
PubChem CID62695617
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid
SMILESO=C(CCNC(C(=O)O)C1CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-9-3-4-10(16)11(7-9)18-12(19)5-6-17-13(14(20)21)8-1-2-8/h3-4,7-8,13,17H,1-2,5-6H2,(H,18,19)(H,20,21)
InChIKeyUAEUXABNYAUVSK-UHFFFAOYSA-N
XLogP2.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697159
3-(cyclopentylamino)-N-(2,5-dichlorophenyl)propanamide
CID 109013761
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide
CID 109012904
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
2-[3-(2,5-dichloroanilino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
CID 105354260
3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide
CID 109021928
2-amino-4-[3-(2,5-dichloroanilino)-3-oxopropyl]sulfanylbutanoic acid
CID 60920432
3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 23804460
2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 62696976
N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962492
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid (CID 62695617) is 2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid is O=C(CCNC(C(=O)O)C1CC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid?
The InChIKey is UAEUXABNYAUVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-9-3-4-10(16)11(7-9)18-12(19)5-6-17-13(14(20)21)8-1-2-8/h3-4,7-8,13,17H,1-2,5-6H2,(H,18,19)(H,20,21).
What are the key properties of 2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid?
2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid has a molecular weight of 331.20 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid is sourced from PubChem (CID 62695617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).