6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid

C16H30N2O3 — CID 65289434

IUPAC6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)NC1CCC(C)C1C
InChIInChI=1S/C16H30N2O3/c1-10-8-9-14(13(10)4)18-16(21)17-12(3)7-5-6-11(2)15(19)20/h10-14H,5-9H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyVXVYGQPULFBSBK-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.00
Rot. Bonds7

About 6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid

6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid (PubChem CID 65289434) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid
PubChem CID65289434
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)NC1CCC(C)C1C
InChIInChI=1S/C16H30N2O3/c1-10-8-9-14(13(10)4)18-16(21)17-12(3)7-5-6-11(2)15(19)20/h10-14H,5-9H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyVXVYGQPULFBSBK-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid
CID 65289906
4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80540743
2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084056
5-amino-N-(2,3-dimethylcyclopentyl)-2-methylpentanamide
CID 104685198
6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid
CID 65290228
4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840239
(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 107830518
6-(cyclohexanecarbonylamino)-2-methylheptanoic acid
CID 65286195
2-(hexan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64818299
1-(2,3-dimethylcyclopentyl)-3-ethylurea
CID 116656362
6-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylheptanoic acid
CID 104829393
5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid
CID 114241226

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid?
The IUPAC name of 6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid (CID 65289434) is 6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)NC1CCC(C)C1C.
What is the InChIKey of 6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid?
The InChIKey is VXVYGQPULFBSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-10-8-9-14(13(10)4)18-16(21)17-12(3)7-5-6-11(2)15(19)20/h10-14H,5-9H2,1-4H3,(H,19,20)(H2,17,18,21).
What are the key properties of 6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid?
6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid is sourced from PubChem (CID 65289434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).