1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid

C15H20N2O4 — CID 76894205

IUPAC1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid
SMILESNC(Cc1ccc(O)cc1)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H20N2O4/c16-12(9-10-3-5-11(18)6-4-10)13(19)17-15(14(20)21)7-1-2-8-15/h3-6,12,18H,1-2,7-9,16H2,(H,17,19)(H,20,21)
InChIKeyMKVMMINCRPQYDD-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.78
Rot. Bonds5

About 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid

1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 76894205) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID76894205
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid
SMILESNC(Cc1ccc(O)cc1)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H20N2O4/c16-12(9-10-3-5-11(18)6-4-10)13(19)17-15(14(20)21)7-1-2-8-15/h3-6,12,18H,1-2,7-9,16H2,(H,17,19)(H,20,21)
InChIKeyMKVMMINCRPQYDD-UHFFFAOYSA-N
XLogP0.78
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid (CID 76894205) is 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid is NC(Cc1ccc(O)cc1)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MKVMMINCRPQYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c16-12(9-10-3-5-11(18)6-4-10)13(19)17-15(14(20)21)7-1-2-8-15/h3-6,12,18H,1-2,7-9,16H2,(H,17,19)(H,20,21).
What are the key properties of 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 76894205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).