3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid

C15H28N2O3 — CID 114549071

IUPAC3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
SMILESCC1(C)CCC(NC(=O)NC(C)(C)C(C)(C)C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-13(2)8-7-10(9-13)16-12(20)17-15(5,6)14(3,4)11(18)19/h10H,7-9H2,1-6H3,(H,18,19)(H2,16,17,20)
InChIKeyPOFBFSAYNRMZBB-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.75
Rot. Bonds4

About 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid

3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid (PubChem CID 114549071) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
PubChem CID114549071
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
SMILESCC1(C)CCC(NC(=O)NC(C)(C)C(C)(C)C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-13(2)8-7-10(9-13)16-12(20)17-15(5,6)14(3,4)11(18)19/h10H,7-9H2,1-6H3,(H,18,19)(H2,16,17,20)
InChIKeyPOFBFSAYNRMZBB-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea
CID 116656967
3-[(4,4-dimethylcyclohexyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176817
3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid
CID 114549080
2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 114549013
2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 65266273
2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
CID 114549087
4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 114549159
3-(1-azabicyclo[2.2.2]octan-3-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266274
N-(3,3-dimethylcyclopentyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 115881812
3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid
CID 65261547
1-(4-aminophenyl)-3-(3,3-dimethylcyclopentyl)urea
CID 114547631
N-[3-[(3,3-dimethylcyclopentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 115882524

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid (CID 114549071) is 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid is CC1(C)CCC(NC(=O)NC(C)(C)C(C)(C)C(=O)O)C1.
What is the InChIKey of 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid?
The InChIKey is POFBFSAYNRMZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-13(2)8-7-10(9-13)16-12(20)17-15(5,6)14(3,4)11(18)19/h10H,7-9H2,1-6H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid?
3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 114549071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).