cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid

C19H26N2O5 — CID 120675480

IUPACcis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C19H26N2O5/c1-2-26-16-7-4-3-6-15(16)18(23)20-11-5-8-17(22)21-14-10-9-13(12-14)19(24)25/h3-4,6-7,13-14H,2,5,8-12H2,1H3,(H,20,23)(H,21,22)(H,24,25)/t13-,14+/m0/s1
InChIKeyRIPBSXDVQJKNHC-UONOGXRCSA-N
MW362.43 g/mol
LogP1.96
Rot. Bonds9

About cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120675480) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120675480
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namecis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C19H26N2O5/c1-2-26-16-7-4-3-6-15(16)18(23)20-11-5-8-17(22)21-14-10-9-13(12-14)19(24)25/h3-4,6-7,13-14H,2,5,8-12H2,1H3,(H,20,23)(H,21,22)(H,24,25)/t13-,14+/m0/s1
InChIKeyRIPBSXDVQJKNHC-UONOGXRCSA-N
XLogP1.96
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119476321
2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
CID 119426258
N-[4-[2-(cyclopentylcarbamothioyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9090176
3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032902
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide
CID 51296073
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 36841911
4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119170749
cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
CID 120678404
2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid
CID 119113379

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid (CID 120675480) is cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid is CCOc1ccccc1C(=O)NCCCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RIPBSXDVQJKNHC-UONOGXRCSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-2-26-16-7-4-3-6-15(16)18(23)20-11-5-8-17(22)21-14-10-9-13(12-14)19(24)25/h3-4,6-7,13-14H,2,5,8-12H2,1H3,(H,20,23)(H,21,22)(H,24,25)/t13-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 1.96, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).