3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid

C14H18ClNO3 — CID 54925840

IUPAC3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
SMILESCOc1ccc(Cl)cc1CN(CCC(=O)O)C1CC1
InChIInChI=1S/C14H18ClNO3/c1-19-13-5-2-11(15)8-10(13)9-16(12-3-4-12)7-6-14(17)18/h2,5,8,12H,3-4,6-7,9H2,1H3,(H,17,18)
InChIKeyKADBJNHVUVSAJE-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.79
Rot. Bonds7

About 3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid

3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid (PubChem CID 54925840) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
PubChem CID54925840
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
SMILESCOc1ccc(Cl)cc1CN(CCC(=O)O)C1CC1
InChIInChI=1S/C14H18ClNO3/c1-19-13-5-2-11(15)8-10(13)9-16(12-3-4-12)7-6-14(17)18/h2,5,8,12H,3-4,6-7,9H2,1H3,(H,17,18)
InChIKeyKADBJNHVUVSAJE-UHFFFAOYSA-N
XLogP2.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-acetyl-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
CID 60839543
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CID 79580758
3-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]propanoic acid
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3-[5-chloro-N-(cyclopropanecarbonyl)-2-methoxyanilino]propanoic acid
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5-(5-chloro-2-methoxyphenyl)pentanoic acid
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4-[[2-(5-chloro-2-methoxyphenyl)acetyl]-methylamino]butanoic acid
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N-[(5-chloro-2-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631571
3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid
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CID 60510272

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid (CID 54925840) is 3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid is COc1ccc(Cl)cc1CN(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid?
The InChIKey is KADBJNHVUVSAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-19-13-5-2-11(15)8-10(13)9-16(12-3-4-12)7-6-14(17)18/h2,5,8,12H,3-4,6-7,9H2,1H3,(H,17,18).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid?
3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid is sourced from PubChem (CID 54925840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).