2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid

C15H20ClNO4 — CID 117498947

IUPAC2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid
SMILESCOc1cc(Cl)cc(CC(N)C(=O)O)c1OC1CCCC1
InChIInChI=1S/C15H20ClNO4/c1-20-13-8-10(16)6-9(7-12(17)15(18)19)14(13)21-11-4-2-3-5-11/h6,8,11-12H,2-5,7,17H2,1H3,(H,18,19)
InChIKeyQZZGJKXIQQNWMD-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.62
Rot. Bonds6

About 2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid

2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid (PubChem CID 117498947) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid
PubChem CID117498947
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid
SMILESCOc1cc(Cl)cc(CC(N)C(=O)O)c1OC1CCCC1
InChIInChI=1S/C15H20ClNO4/c1-20-13-8-10(16)6-9(7-12(17)15(18)19)14(13)21-11-4-2-3-5-11/h6,8,11-12H,2-5,7,17H2,1H3,(H,18,19)
InChIKeyQZZGJKXIQQNWMD-UHFFFAOYSA-N
XLogP2.62
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117482696
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid
CID 117481287
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid
CID 117436914
(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid
CID 96802774
1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine
CID 117432330
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117495921
3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid
CID 117424223
2-amino-3-(3-fluoro-2,4,5-trimethoxyphenyl)propanoic acid
CID 117435384
2-amino-3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117447869

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid (CID 117498947) is 2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid is COc1cc(Cl)cc(CC(N)C(=O)O)c1OC1CCCC1.
What is the InChIKey of 2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid?
The InChIKey is QZZGJKXIQQNWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-20-13-8-10(16)6-9(7-12(17)15(18)19)14(13)21-11-4-2-3-5-11/h6,8,11-12H,2-5,7,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid?
2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid has a molecular weight of 313.78 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117498947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).