2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid

C14H15Cl2NO4 — CID 23211203

IUPAC2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid
SMILESNC(CCc1cc(Cl)cc(Cl)c1)(C(=O)O)C1CC1C(=O)O
InChIInChI=1S/C14H15Cl2NO4/c15-8-3-7(4-9(16)5-8)1-2-14(17,13(20)21)11-6-10(11)12(18)19/h3-5,10-11H,1-2,6,17H2,(H,18,19)(H,20,21)
InChIKeyWHJMNWPWVNYCQV-UHFFFAOYSA-N
MW332.18 g/mol
LogP2.43
Rot. Bonds6

About 2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid

2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid (PubChem CID 23211203) has the molecular formula C14H15Cl2NO4 and a molecular weight of 332.18 g/mol. Its IUPAC name is 2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid
PubChem CID23211203
Molecular FormulaC14H15Cl2NO4
Molecular Weight332.18 g/mol
Exact Mass331.04
IUPAC Name2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid
SMILESNC(CCc1cc(Cl)cc(Cl)c1)(C(=O)O)C1CC1C(=O)O
InChIInChI=1S/C14H15Cl2NO4/c15-8-3-7(4-9(16)5-8)1-2-14(17,13(20)21)11-6-10(11)12(18)19/h3-5,10-11H,1-2,6,17H2,(H,18,19)(H,20,21)
InChIKeyWHJMNWPWVNYCQV-UHFFFAOYSA-N
XLogP2.43
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid
CID 10587622
trans-(1S,2S)-2-(1-amino-1-carboxy-5-phenylpentyl)cyclopropane-1-carboxylic acid
CID 10732318
trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid
CID 10826383
(1S)-2-[(1R)-1-amino-1-carboxy-3-phenylbutyl]cyclopropane-1-carboxylic acid
CID 44345367
(1S)-2-[(1R)-1-amino-1-carboxy-3-(2,6-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 44348726
(1S)-2-[(1R)-1-amino-1-carboxy-3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 44348727
(1S)-2-[(1R)-1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 44348787
(1S)-2-[(1R)-1-amino-1-carboxy-3-(3,4-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 44348803
(1S)-2-[(1R)-1-amino-1-carboxy-3-(2-chlorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 44348958
(S)-2-[(R)-1-Amino-1-carboxy-3-(3-chloro-phenyl)-propyl]-cyclopropanecarboxylic acid
CID 44348993
(1S)-2-[(1R)-1-amino-1-carboxy-3-(4-chlorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 44349010
(1S,2S,3S)-2-(1-amino-1-carboxy-3-phenylpropyl)-3-methylcyclopropane-1-carboxylic acid
CID 44328993

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid (CID 23211203) is 2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid is NC(CCc1cc(Cl)cc(Cl)c1)(C(=O)O)C1CC1C(=O)O.
What is the InChIKey of 2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid?
The InChIKey is WHJMNWPWVNYCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO4/c15-8-3-7(4-9(16)5-8)1-2-14(17,13(20)21)11-6-10(11)12(18)19/h3-5,10-11H,1-2,6,17H2,(H,18,19)(H,20,21).
What are the key properties of 2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid?
2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid has a molecular weight of 332.18 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-1-carboxy-3-(3,5-dichlorophenyl)propyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 23211203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).