2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid

C13H13Cl2NO3 — CID 62697078

IUPAC2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H13Cl2NO3/c14-9-4-1-7(5-10(9)15)6-11(17)16-12(13(18)19)8-2-3-8/h1,4-5,8,12H,2-3,6H2,(H,16,17)(H,18,19)
InChIKeyYZXVFHFODVCIOC-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.52
Rot. Bonds5

About 2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid

2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid (PubChem CID 62697078) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid
PubChem CID62697078
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H13Cl2NO3/c14-9-4-1-7(5-10(9)15)6-11(17)16-12(13(18)19)8-2-3-8/h1,4-5,8,12H,2-3,6H2,(H,16,17)(H,18,19)
InChIKeyYZXVFHFODVCIOC-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821775
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
2-cyclopropyl-2-[[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 62696087
2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 62697267
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883
2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid
CID 119213176
2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 62696976
2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide
CID 47140929
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307074
2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
CID 115730815
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172231
2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
CID 79139200

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid (CID 62697078) is 2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid is O=C(Cc1ccc(Cl)c(Cl)c1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid?
The InChIKey is YZXVFHFODVCIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c14-9-4-1-7(5-10(9)15)6-11(17)16-12(13(18)19)8-2-3-8/h1,4-5,8,12H,2-3,6H2,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid has a molecular weight of 302.16 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 62697078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).