2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid

C10H19NO3 — CID 22236327

IUPAC2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid
SMILESO=C(O)NCCC1CCC(CO)CC1
InChIInChI=1S/C10H19NO3/c12-7-9-3-1-8(2-4-9)5-6-11-10(13)14/h8-9,11-12H,1-7H2,(H,13,14)
InChIKeyXTGZKVUBHYJWEG-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.44
Rot. Bonds4

About 2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid

2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid (PubChem CID 22236327) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid
PubChem CID22236327
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid
SMILESO=C(O)NCCC1CCC(CO)CC1
InChIInChI=1S/C10H19NO3/c12-7-9-3-1-8(2-4-9)5-6-11-10(13)14/h8-9,11-12H,1-7H2,(H,13,14)
InChIKeyXTGZKVUBHYJWEG-UHFFFAOYSA-N
XLogP1.44
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2-cyclopropylethyl)urea
CID 68635931
2-(1-acetylpiperidin-4-yl)ethylcarbamic acid
CID 118540720
3-cyclohexylpropylcarbamic acid
CID 54479876
N-(2-cyclopropylethyl)-4-hydroxybutanamide
CID 79192412
4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498677
2-chloro-N-(2-cyclobutylethyl)acetamide
CID 115879965
1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea
CID 167834563
1-(2-cyclopropylethyl)-3-methoxyurea
CID 131224486
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid
CID 122458449
N-(2-piperidin-4-ylethyl)acetamide;hydrochloride
CID 70084913
propan-2-yl N-(2-cyclopropylethyl)carbamate
CID 116656480

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid?
The IUPAC name of 2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid (CID 22236327) is 2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid is O=C(O)NCCC1CCC(CO)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid?
The InChIKey is XTGZKVUBHYJWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c12-7-9-3-1-8(2-4-9)5-6-11-10(13)14/h8-9,11-12H,1-7H2,(H,13,14).
What are the key properties of 2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid?
2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid has a molecular weight of 201.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid is sourced from PubChem (CID 22236327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).