(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid

C8H17NO3 — CID 87203972

IUPAC(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
SMILESCC(C)(C)C(CCO)NC(=O)O
InChIInChI=1S/C8H17NO3/c1-8(2,3)6(4-5-10)9-7(11)12/h6,9-10H,4-5H2,1-3H3,(H,11,12)
InChIKeyIQDZYQBWAGEAJV-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.05
Rot. Bonds3

About (1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid

(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid (PubChem CID 87203972) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid.

Molecular Properties

Compound Name(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
PubChem CID87203972
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
SMILESCC(C)(C)C(CCO)NC(=O)O
InChIInChI=1S/C8H17NO3/c1-8(2,3)6(4-5-10)9-7(11)12/h6,9-10H,4-5H2,1-3H3,(H,11,12)
InChIKeyIQDZYQBWAGEAJV-UHFFFAOYSA-N
XLogP1.05
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethylheptan-3-ylcarbamic acid
CID 175434707
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106349960
2,2-dimethylhept-6-en-3-ylcarbamic acid
CID 175244688
2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid
CID 106348531
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
CID 106349899
(6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid
CID 173464238
1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide
CID 106350128
(2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide
CID 114176965
N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide
CID 106353098
N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexa-2,4-dienamide
CID 106353216
[(2S)-1,3-dihydroxy-3-methylbutan-2-yl]carbamic acid
CID 87853068
6-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4,4-dimethylhexanamide
CID 106350089

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid?
The IUPAC name of (1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid (CID 87203972) is (1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid.
What is the SMILES notation for (1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid?
The canonical SMILES for (1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid is CC(C)(C)C(CCO)NC(=O)O.
What is the InChIKey of (1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid?
The InChIKey is IQDZYQBWAGEAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,3)6(4-5-10)9-7(11)12/h6,9-10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of (1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid?
(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid has a molecular weight of 175.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid is sourced from PubChem (CID 87203972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).