(5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid

C9H19NO3 — CID 88951304

IUPAC(5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid
SMILESCC(C)(CO)CC(C)(C)NC(=O)O
InChIInChI=1S/C9H19NO3/c1-8(2,6-11)5-9(3,4)10-7(12)13/h10-11H,5-6H2,1-4H3,(H,12,13)
InChIKeyQWYSRPPUWRQNNY-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.44
Rot. Bonds4

About (5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid

(5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid (PubChem CID 88951304) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid.

Molecular Properties

Compound Name(5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid
PubChem CID88951304
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid
SMILESCC(C)(CO)CC(C)(C)NC(=O)O
InChIInChI=1S/C9H19NO3/c1-8(2,6-11)5-9(3,4)10-7(12)13/h10-11H,5-6H2,1-4H3,(H,12,13)
InChIKeyQWYSRPPUWRQNNY-UHFFFAOYSA-N
XLogP1.44
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4,4-trimethylheptan-2-yl)acetamide
CID 170293406
(4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride
CID 118419337
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid
CID 87536176
3,6-dihydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-2,2,5,5-tetramethylhexanoic acid
CID 90786319
(5-hydroxy-2,4,4-trimethylpentan-2-yl) hydrogen carbonate
CID 150990744
1-[(5-hydroxy-2,2,4,4-tetramethylpentyl)amino]-3,3-dimethylbutan-2-one
CID 167513353
2,2-dimethylpropane-1,3-diol;3-oxobutanoic acid
CID 121332471
[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamic acid
CID 54273301
1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide
CID 91265050
2,2-dimethylpropane-1,3-diol;tetrakis(2-sulfanylacetic acid)
CID 23499730
(6-hydroxy-5,5-dimethylhexyl)carbamic acid
CID 90923983
2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol
CID 91132271

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid?
The IUPAC name of (5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid (CID 88951304) is (5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid.
What is the SMILES notation for (5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid?
The canonical SMILES for (5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid is CC(C)(CO)CC(C)(C)NC(=O)O.
What is the InChIKey of (5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid?
The InChIKey is QWYSRPPUWRQNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8(2,6-11)5-9(3,4)10-7(12)13/h10-11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of (5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid?
(5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid has a molecular weight of 189.25 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 (5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid is sourced from PubChem (CID 88951304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).