4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 102865464

IUPAC4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNC(=O)N(CCO)C2CCC2)CC1
InChIInChI=1S/C15H26N2O4/c18-9-8-17(13-2-1-3-13)15(21)16-10-11-4-6-12(7-5-11)14(19)20/h11-13,18H,1-10H2,(H,16,21)(H,19,20)
InChIKeyBKMWAVPLQOEKLM-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.43
Rot. Bonds6

About 4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 102865464) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID102865464
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNC(=O)N(CCO)C2CCC2)CC1
InChIInChI=1S/C15H26N2O4/c18-9-8-17(13-2-1-3-13)15(21)16-10-11-4-6-12(7-5-11)14(19)20/h11-13,18H,1-10H2,(H,16,21)(H,19,20)
InChIKeyBKMWAVPLQOEKLM-UHFFFAOYSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79524949
4-[[[cyclobutylmethyl(ethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107400130
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 102865736
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 102865494
4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526469
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid
CID 103160140
4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 81037703
2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815568
1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115620424
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816348
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007356

Frequently Asked Questions

What is the IUPAC name of 4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 102865464) is 4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNC(=O)N(CCO)C2CCC2)CC1.
What is the InChIKey of 4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is BKMWAVPLQOEKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-9-8-17(13-2-1-3-13)15(21)16-10-11-4-6-12(7-5-11)14(19)20/h11-13,18H,1-10H2,(H,16,21)(H,19,20).
What are the key properties of 4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102865464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).