2-hydroxyethyl(2-methylpropyl)carbamic acid

C7H15NO3 — CID 174562552

IUPAC2-hydroxyethyl(2-methylpropyl)carbamic acid
SMILESCC(C)CN(CCO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-6(2)5-8(3-4-9)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyZXWCXZSIKUAYSY-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.61
Rot. Bonds4

About 2-hydroxyethyl(2-methylpropyl)carbamic acid

2-hydroxyethyl(2-methylpropyl)carbamic acid (PubChem CID 174562552) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-hydroxyethyl(2-methylpropyl)carbamic acid.

Molecular Properties

Compound Name2-hydroxyethyl(2-methylpropyl)carbamic acid
PubChem CID174562552
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-hydroxyethyl(2-methylpropyl)carbamic acid
SMILESCC(C)CN(CCO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-6(2)5-8(3-4-9)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyZXWCXZSIKUAYSY-UHFFFAOYSA-N
XLogP0.61
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(2-hydroxyethyl)-N-(2-methylpropyl)acetamide
CID 177048994
ethyl(2-hydroxyethyl)carbamic acid
CID 23202017
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
carboxy-[2-[carboxy-[3-[carboxy(2-hydroxyethyl)amino]propyl]amino]propyl]carbamic acid
CID 54374628
2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63064052
2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 22722873
N,N-bis(2-hydroxyethyl)-7-methyloctanamide
CID 54230939
2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate
CID 61233456
4-[bis(2-hydroxyethyl)amino]-2-methyl-4-oxobutanoic acid
CID 158712183
sulfanyl N,N-bis(2-methylpropyl)carbamate
CID 174893639
bis(2-hydroxyethyl)carbamic acid;piperazine
CID 67592047
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(2-methylpropyl)carbamic acid?
The IUPAC name of 2-hydroxyethyl(2-methylpropyl)carbamic acid (CID 174562552) is 2-hydroxyethyl(2-methylpropyl)carbamic acid.
What is the SMILES notation for 2-hydroxyethyl(2-methylpropyl)carbamic acid?
The canonical SMILES for 2-hydroxyethyl(2-methylpropyl)carbamic acid is CC(C)CN(CCO)C(=O)O.
What is the InChIKey of 2-hydroxyethyl(2-methylpropyl)carbamic acid?
The InChIKey is ZXWCXZSIKUAYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(2)5-8(3-4-9)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-hydroxyethyl(2-methylpropyl)carbamic acid?
2-hydroxyethyl(2-methylpropyl)carbamic acid has a molecular weight of 161.20 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(2-methylpropyl)carbamic acid is sourced from PubChem (CID 174562552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).