(1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid

C14H17NO4 — CID 11347096

IUPAC(1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid
SMILESCc1ccc([C@@H]2C[C@@](N)(C(=O)O)C[C@H]2C(=O)O)cc1
InChIInChI=1S/C14H17NO4/c1-8-2-4-9(5-3-8)10-6-14(15,13(18)19)7-11(10)12(16)17/h2-5,10-11H,6-7,15H2,1H3,(H,16,17)(H,18,19)/t10-,11+,14-/m0/s1
InChIKeyDPQMDRSEYLKIOV-WDMOLILDSA-N
MW263.29 g/mol
LogP1.36
Rot. Bonds3

About (1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid

(1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid (PubChem CID 11347096) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name(1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid
PubChem CID11347096
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid
SMILESCc1ccc([C@@H]2C[C@@](N)(C(=O)O)C[C@H]2C(=O)O)cc1
InChIInChI=1S/C14H17NO4/c1-8-2-4-9(5-3-8)10-6-14(15,13(18)19)7-11(10)12(16)17/h2-5,10-11H,6-7,15H2,1H3,(H,16,17)(H,18,19)/t10-,11+,14-/m0/s1
InChIKeyDPQMDRSEYLKIOV-WDMOLILDSA-N
XLogP1.36
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid?
The IUPAC name of (1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid (CID 11347096) is (1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid.
What is the SMILES notation for (1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid?
The canonical SMILES for (1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid is Cc1ccc([C@@H]2C[C@@](N)(C(=O)O)C[C@H]2C(=O)O)cc1.
What is the InChIKey of (1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid?
The InChIKey is DPQMDRSEYLKIOV-WDMOLILDSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8-2-4-9(5-3-8)10-6-14(15,13(18)19)7-11(10)12(16)17/h2-5,10-11H,6-7,15H2,1H3,(H,16,17)(H,18,19)/t10-,11+,14-/m0/s1.
What are the key properties of (1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid?
(1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-1-amino-4-(4-methylphenyl)cyclopentane-1,3-dicarboxylic acid is sourced from PubChem (CID 11347096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).