3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid

C15H28N2O3 — CID 64916232

IUPAC3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid
SMILESCCC1CCC(NC(=O)N(CC)C(C)CC(=O)O)C1C
InChIInChI=1S/C15H28N2O3/c1-5-12-7-8-13(11(12)4)16-15(20)17(6-2)10(3)9-14(18)19/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyIBRQOQKZSRDYNB-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds6

About 3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid

3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid (PubChem CID 64916232) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid
PubChem CID64916232
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid
SMILESCCC1CCC(NC(=O)N(CC)C(C)CC(=O)O)C1C
InChIInChI=1S/C15H28N2O3/c1-5-12-7-8-13(11(12)4)16-15(20)17(6-2)10(3)9-14(18)19/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyIBRQOQKZSRDYNB-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea
CID 116656385
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid
CID 64914032
N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide
CID 107031086
3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid
CID 62826816
propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate
CID 116656380
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid
CID 64916428
3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 55233082
N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide
CID 103515760
3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid
CID 106257764
3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid
CID 62826284
N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinyl-2-oxoacetamide
CID 64917052
N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide
CID 64914468

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid (CID 64916232) is 3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid is CCC1CCC(NC(=O)N(CC)C(C)CC(=O)O)C1C.
What is the InChIKey of 3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid?
The InChIKey is IBRQOQKZSRDYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-12-7-8-13(11(12)4)16-15(20)17(6-2)10(3)9-14(18)19/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid?
3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 64916232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).