cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C19H21NO4 — CID 120678697

IUPACcis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc2cccc(CC(=O)N[C@H]3CC[C@@H](C(=O)O)C3)c2c1
InChIInChI=1S/C19H21NO4/c1-24-16-8-6-12-3-2-4-13(17(12)11-16)10-18(21)20-15-7-5-14(9-15)19(22)23/h2-4,6,8,11,14-15H,5,7,9-10H2,1H3,(H,20,21)(H,22,23)/t14-,15+/m1/s1
InChIKeyQCFUSWVPAHCKBN-CABCVRRESA-N
MW327.38 g/mol
LogP2.76
Rot. Bonds5

About cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120678697) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120678697
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namecis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc2cccc(CC(=O)N[C@H]3CC[C@@H](C(=O)O)C3)c2c1
InChIInChI=1S/C19H21NO4/c1-24-16-8-6-12-3-2-4-13(17(12)11-16)10-18(21)20-15-7-5-14(9-15)19(22)23/h2-4,6,8,11,14-15H,5,7,9-10H2,1H3,(H,20,21)(H,22,23)/t14-,15+/m1/s1
InChIKeyQCFUSWVPAHCKBN-CABCVRRESA-N
XLogP2.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677153
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120535790
2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 75388302
N-(2-cyclopentyl-2-hydroxyethyl)-2-(7-methoxynaphthalen-1-yl)acetamide
CID 109380188
N-[(7-methoxynaphthalen-1-yl)methoxy]cyclopropanecarboxamide
CID 19967333
cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106324061
cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 120674754
cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120690555
N-(3-methylcyclopentyl)-2-naphthalen-1-ylacetamide
CID 114549688
2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548031

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120678697) is cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is COc1ccc2cccc(CC(=O)N[C@H]3CC[C@@H](C(=O)O)C3)c2c1.
What is the InChIKey of cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is QCFUSWVPAHCKBN-CABCVRRESA-N. The full InChI is InChI=1S/C19H21NO4/c1-24-16-8-6-12-3-2-4-13(17(12)11-16)10-18(21)20-15-7-5-14(9-15)19(22)23/h2-4,6,8,11,14-15H,5,7,9-10H2,1H3,(H,20,21)(H,22,23)/t14-,15+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).