2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid

C14H26N2O3 — CID 82762437

IUPAC2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCC(C)N(CC)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-10(3)16(6-2)13(19)15-11-8-7-9-14(11,4)12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeySHHNCBIPFBRTHA-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds5

About 2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid

2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82762437) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82762437
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCC(C)N(CC)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-10(3)16(6-2)13(19)15-11-8-7-9-14(11,4)12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeySHHNCBIPFBRTHA-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764894
1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82765071
2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 102995471
2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764290
2-[[2-cyanoethyl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762365
2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764928
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765494
1-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103500550
2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763992
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764534
2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82764156

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid (CID 82762437) is 2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid is CCC(C)N(CC)C(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is SHHNCBIPFBRTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-10(3)16(6-2)13(19)15-11-8-7-9-14(11,4)12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).