2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid

C13H24N2O4 — CID 81081091

IUPAC2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid
SMILESCCC1CCC(NC(=O)NC(COC)C(=O)O)C1C
InChIInChI=1S/C13H24N2O4/c1-4-9-5-6-10(8(9)2)14-13(18)15-11(7-19-3)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeySRPVGRBKQFXZRV-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.21
Rot. Bonds6

About 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid

2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid (PubChem CID 81081091) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid
PubChem CID81081091
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid
SMILESCCC1CCC(NC(=O)NC(COC)C(=O)O)C1C
InChIInChI=1S/C13H24N2O4/c1-4-9-5-6-10(8(9)2)14-13(18)15-11(7-19-3)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeySRPVGRBKQFXZRV-UHFFFAOYSA-N
XLogP1.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid
CID 64915037
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid
CID 64916428
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid
CID 64914032
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid
CID 62478843
2-(1-azabicyclo[2.2.2]octan-3-ylcarbamoylamino)-3-methoxypropanoic acid
CID 81084927
N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide
CID 103515760
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64915825
2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084056
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide
CID 107031086
N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide
CID 107941727
3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 81085981

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid (CID 81081091) is 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid is CCC1CCC(NC(=O)NC(COC)C(=O)O)C1C.
What is the InChIKey of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid?
The InChIKey is SRPVGRBKQFXZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-9-5-6-10(8(9)2)14-13(18)15-11(7-19-3)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid?
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 81081091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).