cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 114092043

IUPACcis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCCN(CC(=O)NC)C(=O)[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-3-6-15(8-11(16)14-2)12(17)9-4-5-10(7-9)13(18)19/h9-10H,3-8H2,1-2H3,(H,14,16)(H,18,19)/t9-,10+/m1/s1
InChIKeyILLLRMCOPZQHKT-ZJUUUORDSA-N
MW270.33 g/mol
LogP0.47
Rot. Bonds6

About cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114092043) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114092043
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namecis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCCN(CC(=O)NC)C(=O)[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-3-6-15(8-11(16)14-2)12(17)9-4-5-10(7-9)13(18)19/h9-10H,3-8H2,1-2H3,(H,14,16)(H,18,19)/t9-,10+/m1/s1
InChIKeyILLLRMCOPZQHKT-ZJUUUORDSA-N
XLogP0.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63041946
3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549871
(2S,4R)-4-hydroxy-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842880
1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]azepane-2-carboxylic acid
CID 64562539
4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783137
3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551173
2-[(2-bromoacetyl)-propylamino]-N-methylacetamide
CID 63680296
4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 61041902
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119744167
2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978414
N-(2-hydroxyethyl)-N-propylcyclopropanecarboxamide
CID 60670831

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid (CID 114092043) is cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid is CCCN(CC(=O)NC)C(=O)[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ILLLRMCOPZQHKT-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-6-15(8-11(16)14-2)12(17)9-4-5-10(7-9)13(18)19/h9-10H,3-8H2,1-2H3,(H,14,16)(H,18,19)/t9-,10+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.47, 6 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-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).