(1-hydroxy-3-methylpentan-2-yl)carbamic acid

C7H15NO3 — CID 22242867

IUPAC(1-hydroxy-3-methylpentan-2-yl)carbamic acid
SMILESCCC(C)C(CO)NC(=O)O
InChIInChI=1S/C7H15NO3/c1-3-5(2)6(4-9)8-7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)
InChIKeyMHHDWRSUDSAQNG-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.66
Rot. Bonds4

About (1-hydroxy-3-methylpentan-2-yl)carbamic acid

(1-hydroxy-3-methylpentan-2-yl)carbamic acid (PubChem CID 22242867) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (1-hydroxy-3-methylpentan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-hydroxy-3-methylpentan-2-yl)carbamic acid
PubChem CID22242867
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(1-hydroxy-3-methylpentan-2-yl)carbamic acid
SMILESCCC(C)C(CO)NC(=O)O
InChIInChI=1S/C7H15NO3/c1-3-5(2)6(4-9)8-7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)
InChIKeyMHHDWRSUDSAQNG-UHFFFAOYSA-N
XLogP0.66
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide
CID 11839005
N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide
CID 102041361
[(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
CID 154960601
[(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
CID 90422490
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
(3-methyl-1-oxopentan-2-yl)carbamic acid
CID 22368838
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate
CID 90207576
2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde
CID 91339414
2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 97332688
2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol
CID 115901377
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide
CID 97332692

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-methylpentan-2-yl)carbamic acid?
The IUPAC name of (1-hydroxy-3-methylpentan-2-yl)carbamic acid (CID 22242867) is (1-hydroxy-3-methylpentan-2-yl)carbamic acid.
What is the SMILES notation for (1-hydroxy-3-methylpentan-2-yl)carbamic acid?
The canonical SMILES for (1-hydroxy-3-methylpentan-2-yl)carbamic acid is CCC(C)C(CO)NC(=O)O.
What is the InChIKey of (1-hydroxy-3-methylpentan-2-yl)carbamic acid?
The InChIKey is MHHDWRSUDSAQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-5(2)6(4-9)8-7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of (1-hydroxy-3-methylpentan-2-yl)carbamic acid?
(1-hydroxy-3-methylpentan-2-yl)carbamic acid has a molecular weight of 161.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-methylpentan-2-yl)carbamic acid is sourced from PubChem (CID 22242867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).