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

C15H19NO4 — CID 120675040

IUPACcis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccccc1CC(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C15H19NO4/c1-20-13-5-3-2-4-10(13)9-14(17)16-12-7-6-11(8-12)15(18)19/h2-5,11-12H,6-9H2,1H3,(H,16,17)(H,18,19)/t11-,12+/m0/s1
InChIKeyIZMKPSKEAMNZNO-NWDGAFQWSA-N
MW277.32 g/mol
LogP1.61
Rot. Bonds5

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

cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120675040) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120675040
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namecis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccccc1CC(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C15H19NO4/c1-20-13-5-3-2-4-10(13)9-14(17)16-12-7-6-11(8-12)15(18)19/h2-5,11-12H,6-9H2,1H3,(H,16,17)(H,18,19)/t11-,12+/m0/s1
InChIKeyIZMKPSKEAMNZNO-NWDGAFQWSA-N
XLogP1.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678697
4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025051
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
4-[(2-hydroxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054526
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676087
cis-(1R,3S)-3-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120679021
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
[2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium
CID 8909591
cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675430
cis-(1R,3S)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120677762

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120675040) is cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid is COc1ccccc1CC(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is IZMKPSKEAMNZNO-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-13-5-3-2-4-10(13)9-14(17)16-12-7-6-11(8-12)15(18)19/h2-5,11-12H,6-9H2,1H3,(H,16,17)(H,18,19)/t11-,12+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.61, 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-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).