1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C16H30N2O3 — CID 82764894

IUPAC1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCCCCN(C(=O)NC1CCCC1(C)C(=O)O)C(C)C
InChIInChI=1S/C16H30N2O3/c1-5-6-7-11-18(12(2)3)15(21)17-13-9-8-10-16(13,4)14(19)20/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyFCLSZJNIXLMDTP-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.24
Rot. Bonds7

About 1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid

1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 82764894) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID82764894
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCCCCN(C(=O)NC1CCCC1(C)C(=O)O)C(C)C
InChIInChI=1S/C16H30N2O3/c1-5-6-7-11-18(12(2)3)15(21)17-13-9-8-10-16(13,4)14(19)20/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyFCLSZJNIXLMDTP-UHFFFAOYSA-N
XLogP3.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762437
2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764928
2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 102995471
3-(2-hydroxycyclohexyl)-1-octyl-1-propan-2-ylurea
CID 18938527
1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434197
3-(2-hydroxycyclohexyl)-1-propan-2-yl-1-undecylurea
CID 18938518
1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 82765524
2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764907
2-[[2-cyanoethyl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762365
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764534
2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 107817457
2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763992

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 82764894) is 1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CCCCCN(C(=O)NC1CCCC1(C)C(=O)O)C(C)C.
What is the InChIKey of 1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FCLSZJNIXLMDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-6-7-11-18(12(2)3)15(21)17-13-9-8-10-16(13,4)14(19)20/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82764894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).