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

C14H26N2O3 — CID 64914032

IUPAC2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid
SMILESCCC1CCC(NC(=O)NC(C(=O)O)C(C)C)C1C
InChIInChI=1S/C14H26N2O3/c1-5-10-6-7-11(9(10)4)15-14(19)16-12(8(2)3)13(17)18/h8-12H,5-7H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyBACXKXZOZQYNJG-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.22
Rot. Bonds5

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

2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid (PubChem CID 64914032) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid
PubChem CID64914032
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid
SMILESCCC1CCC(NC(=O)NC(C(=O)O)C(C)C)C1C
InChIInChI=1S/C14H26N2O3/c1-5-10-6-7-11(9(10)4)15-14(19)16-12(8(2)3)13(17)18/h8-12H,5-7H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyBACXKXZOZQYNJG-UHFFFAOYSA-N
XLogP2.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid
CID 64916428
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid
CID 81081091
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid
CID 64915037
(2S)-3-methyl-2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]butanoic acid
CID 942050
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64915825
N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide
CID 107031086
propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate
CID 116656380
3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid
CID 64916232
N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide
CID 103515760
3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64914232
2-amino-N-(3-ethyl-2-methylcyclopentyl)-3,3-dimethylbutanamide
CID 77050507
(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
CID 2050014

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid?
The IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid (CID 64914032) is 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid is CCC1CCC(NC(=O)NC(C(=O)O)C(C)C)C1C.
What is the InChIKey of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid?
The InChIKey is BACXKXZOZQYNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-10-6-7-11(9(10)4)15-14(19)16-12(8(2)3)13(17)18/h8-12H,5-7H2,1-4H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid?
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 64914032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).