cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 114265030

IUPACcis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESC=CCOC(C)CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-3-6-19-9(2)8-14-13(18)15-11-5-4-10(7-11)12(16)17/h3,9-11H,1,4-8H2,2H3,(H,16,17)(H2,14,15,18)/t9?,10-,11+/m1/s1
InChIKeyQHLYAJHZMRKPGT-ZOCYIJKUSA-N
MW270.33 g/mol
LogP1.13
Rot. Bonds7

About cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 114265030) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID114265030
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namecis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESC=CCOC(C)CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-3-6-19-9(2)8-14-13(18)15-11-5-4-10(7-11)12(16)17/h3,9-11H,1,4-8H2,2H3,(H,16,17)(H2,14,15,18)/t9?,10-,11+/m1/s1
InChIKeyQHLYAJHZMRKPGT-ZOCYIJKUSA-N
XLogP1.13
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102907107
3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 113484428
cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319901
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 106320412
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320505
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
4-methyl-3-(2-prop-2-enoxypropylcarbamoylamino)pentanoic acid
CID 114265027
cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319333
4-(2-propan-2-yloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113450614

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 114265030) is cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid is C=CCOC(C)CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is QHLYAJHZMRKPGT-ZOCYIJKUSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-6-19-9(2)8-14-13(18)15-11-5-4-10(7-11)12(16)17/h3,9-11H,1,4-8H2,2H3,(H,16,17)(H2,14,15,18)/t9?,10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114265030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).