cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid

C18H19NO4 — CID 120675430

IUPACcis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(COc1cccc2ccccc12)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C18H19NO4/c20-17(19-14-9-8-13(10-14)18(21)22)11-23-16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14H,8-11H2,(H,19,20)(H,21,22)/t13-,14+/m0/s1
InChIKeyAKFIADWYRMHOCF-UONOGXRCSA-N
MW313.35 g/mol
LogP2.59
Rot. Bonds5

About cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120675430) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120675430
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namecis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(COc1cccc2ccccc12)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C18H19NO4/c20-17(19-14-9-8-13(10-14)18(21)22)11-23-16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14H,8-11H2,(H,19,20)(H,21,22)/t13-,14+/m0/s1
InChIKeyAKFIADWYRMHOCF-UONOGXRCSA-N
XLogP2.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120677762
N-(4-hydroxycyclohexyl)-2-naphthalen-1-yloxyacetamide
CID 112788976
cis-(1S,3R)-3-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675144
N-(2-methylpiperidin-4-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 120599567
2-naphthalen-1-yloxy-N-[2-[(2-naphthalen-1-yloxyacetyl)amino]cyclohexyl]acetamide
CID 5176839
cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675579
2-naphthalen-1-yloxy-N-piperidin-3-ylacetamide;hydrochloride
CID 119426850
N-[(1S,2R)-2-methylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 2504510
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030116
3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030131
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106321314

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid (CID 120675430) is cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid is O=C(COc1cccc2ccccc12)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is AKFIADWYRMHOCF-UONOGXRCSA-N. The full InChI is InChI=1S/C18H19NO4/c20-17(19-14-9-8-13(10-14)18(21)22)11-23-16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14H,8-11H2,(H,19,20)(H,21,22)/t13-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 313.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).