cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid

C14H17NO4 — CID 102192714

IUPACcis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid
SMILESN[C@]1(C(=O)O)CC[C@](Cc2ccccc2)(C(=O)O)C1
InChIInChI=1S/C14H17NO4/c15-14(12(18)19)7-6-13(9-14,11(16)17)8-10-4-2-1-3-5-10/h1-5H,6-9,15H2,(H,16,17)(H,18,19)/t13-,14-/m1/s1
InChIKeyDUGCCDBNNQOHFI-ZIAGYGMSSA-N
MW263.29 g/mol
LogP1.27
Rot. Bonds4

About cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid

cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid (PubChem CID 102192714) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid.

Molecular Properties

Compound Namecis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid
PubChem CID102192714
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namecis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid
SMILESN[C@]1(C(=O)O)CC[C@](Cc2ccccc2)(C(=O)O)C1
InChIInChI=1S/C14H17NO4/c15-14(12(18)19)7-6-13(9-14,11(16)17)8-10-4-2-1-3-5-10/h1-5H,6-9,15H2,(H,16,17)(H,18,19)/t13-,14-/m1/s1
InChIKeyDUGCCDBNNQOHFI-ZIAGYGMSSA-N
XLogP1.27
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid?
The IUPAC name of cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid (CID 102192714) is cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid.
What is the SMILES notation for cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid?
The canonical SMILES for cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid is N[C@]1(C(=O)O)CC[C@](Cc2ccccc2)(C(=O)O)C1.
What is the InChIKey of cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid?
The InChIKey is DUGCCDBNNQOHFI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H17NO4/c15-14(12(18)19)7-6-13(9-14,11(16)17)8-10-4-2-1-3-5-10/h1-5H,6-9,15H2,(H,16,17)(H,18,19)/t13-,14-/m1/s1.
What are the key properties of cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid?
cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid is sourced from PubChem (CID 102192714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).