2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid

C14H26N2O3 — CID 107414489

IUPAC2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)NCC1CCC(C)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-7-14(3,12(17)18)16-13(19)15-9-11-6-5-10(2)8-11/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyVEGMPMPQOGMOEC-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds6

About 2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid

2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid (PubChem CID 107414489) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
PubChem CID107414489
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)NCC1CCC(C)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-7-14(3,12(17)18)16-13(19)15-9-11-6-5-10(2)8-11/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyVEGMPMPQOGMOEC-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid
CID 63244361
2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
CID 79350072
2-(butylcarbamoylamino)-2-methylpentanoic acid
CID 43619164
2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 79071785
2-amino-2-methyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413148
(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 107414492
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430
2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid
CID 83019592
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
2-methyl-2-(3-methylbut-2-enylcarbamoylamino)pentanoic acid
CID 106191134
(3-methylcyclopentyl)methylurea
CID 20542807

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid (CID 107414489) is 2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid is CCCC(C)(NC(=O)NCC1CCC(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is VEGMPMPQOGMOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-7-14(3,12(17)18)16-13(19)15-9-11-6-5-10(2)8-11/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107414489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).