1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

C15H28N2O4 — CID 107201761

IUPAC1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CCCCCO)C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O4/c1-17(10-6-3-7-11-18)14(21)16-12-15(13(19)20)8-4-2-5-9-15/h18H,2-12H2,1H3,(H,16,21)(H,19,20)
InChIKeySNPZAJAHBLSECE-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.83
Rot. Bonds8

About 1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 107201761) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID107201761
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CCCCCO)C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O4/c1-17(10-6-3-7-11-18)14(21)16-12-15(13(19)20)8-4-2-5-9-15/h18H,2-12H2,1H3,(H,16,21)(H,19,20)
InChIKeySNPZAJAHBLSECE-UHFFFAOYSA-N
XLogP1.83
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436923
1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309363
1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434214
1-[[[2-methoxyethyl(methyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444756
1-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107198577
1-[[[2-ethoxyethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115437002
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436769
1-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114230125
1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451070
1-[[[butyl(ethyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444679
1-[[[butan-2-yl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436713

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 107201761) is 1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is CN(CCCCCO)C(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is SNPZAJAHBLSECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-17(10-6-3-7-11-18)14(21)16-12-15(13(19)20)8-4-2-5-9-15/h18H,2-12H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107201761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).