cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid

C12H20N2O3 — CID 106320505

IUPACcis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)=CCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-8(2)5-6-13-12(17)14-10-4-3-9(7-10)11(15)16/h5,9-10H,3-4,6-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t9-,10+/m1/s1
InChIKeyUEGRBJBTHWOXLO-ZJUUUORDSA-N
MW240.30 g/mol
LogP1.51
Rot. Bonds4

About cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106320505) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID106320505
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namecis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)=CCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-8(2)5-6-13-12(17)14-10-4-3-9(7-10)11(15)16/h5,9-10H,3-4,6-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t9-,10+/m1/s1
InChIKeyUEGRBJBTHWOXLO-ZJUUUORDSA-N
XLogP1.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)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

4-(3-methylbut-2-enylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106191136
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102907107
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106
3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463220
3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032224
cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319333

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 106320505) is cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid is CC(C)=CCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is UEGRBJBTHWOXLO-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(2)5-6-13-12(17)14-10-4-3-9(7-10)11(15)16/h5,9-10H,3-4,6-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).