[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid

C6H13NO3 — CID 151056866

IUPAC[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)C(C)(C)O
InChIInChI=1S/C6H13NO3/c1-4(6(2,3)10)7-5(8)9/h4,7,10H,1-3H3,(H,8,9)/t4-/m0/s1
InChIKeyMFHZPDSOQGIFTM-BYPYZUCNSA-N
MW147.17 g/mol
LogP0.41
Rot. Bonds2

About [(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid

[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid (PubChem CID 151056866) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is [(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
PubChem CID151056866
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)C(C)(C)O
InChIInChI=1S/C6H13NO3/c1-4(6(2,3)10)7-5(8)9/h4,7,10H,1-3H3,(H,8,9)/t4-/m0/s1
InChIKeyMFHZPDSOQGIFTM-BYPYZUCNSA-N
XLogP0.41
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
CID 129021869
2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 131071518
N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide
CID 130862795
[(2S)-1,3-dihydroxy-3-methylbutan-2-yl]carbamic acid
CID 87853068
trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 130725617
N,N'-bis[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanediamide
CID 87653467
cyclopentane;propan-2-ylcarbamic acid
CID 169143516
(2-hydroxy-2-methylheptan-3-yl)carbamic acid
CID 90115591
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid
CID 87703866
[(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
CID 90422490
[(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
CID 154960601

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid?
The IUPAC name of [(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid (CID 151056866) is [(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid is C[C@H](NC(=O)O)C(C)(C)O.
What is the InChIKey of [(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid?
The InChIKey is MFHZPDSOQGIFTM-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(6(2,3)10)7-5(8)9/h4,7,10H,1-3H3,(H,8,9)/t4-/m0/s1.
What are the key properties of [(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid?
[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid has a molecular weight of 147.17 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid is sourced from PubChem (CID 151056866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).