3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid

C14H26N2O3 — CID 107419896

IUPAC3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)NCC1CCCC1C
InChIInChI=1S/C14H26N2O3/c1-3-5-12(8-13(17)18)16-14(19)15-9-11-7-4-6-10(11)2/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyRLTGOOZEMDIJBT-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds7

About 3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid

3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid (PubChem CID 107419896) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
PubChem CID107419896
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)NCC1CCCC1C
InChIInChI=1S/C14H26N2O3/c1-3-5-12(8-13(17)18)16-14(19)15-9-11-7-4-6-10(11)2/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyRLTGOOZEMDIJBT-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
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

3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 82002968
(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107419825
2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107419812
3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107419034
3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide
CID 107418581
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876
3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 55011890
(2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107829563
4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419995
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
2-[(hex-1-yn-3-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 106232470
(2-methylcyclopentyl)methylurea
CID 107417745

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid?
The IUPAC name of 3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid (CID 107419896) is 3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid?
The canonical SMILES for 3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid is CCCC(CC(=O)O)NC(=O)NCC1CCCC1C.
What is the InChIKey of 3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid?
The InChIKey is RLTGOOZEMDIJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-5-12(8-13(17)18)16-14(19)15-9-11-7-4-6-10(11)2/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid?
3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 107419896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).