[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid

C9H18N2O4 — CID 141293209

IUPAC[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)(C)[C@H](NC(=O)O)C(=O)NCCO
InChIInChI=1S/C9H18N2O4/c1-9(2,3)6(11-8(14)15)7(13)10-4-5-12/h6,11-12H,4-5H2,1-3H3,(H,10,13)(H,14,15)/t6-/m1/s1
InChIKeyHHKGGSJZFITEQJ-ZCFIWIBFSA-N
MW218.25 g/mol
LogP-0.22
Rot. Bonds4

About [(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid

[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 141293209) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is [(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
PubChem CID141293209
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)(C)[C@H](NC(=O)O)C(=O)NCCO
InChIInChI=1S/C9H18N2O4/c1-9(2,3)6(11-8(14)15)7(13)10-4-5-12/h6,11-12H,4-5H2,1-3H3,(H,10,13)(H,14,15)/t6-/m1/s1
InChIKeyHHKGGSJZFITEQJ-ZCFIWIBFSA-N
XLogP-0.22
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
CID 143641934
2-hydroxy-N-(2-hydroxyethyl)-3-methylbutanamide
CID 130024184
carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)
CID 166560279
(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
CID 87203972
(2S)-2-tert-butyl-N-(2-hydroxyethyl)pentanamide
CID 155268171
2-ethyl-3-(2-hydroxyethylcarbamoyl)-4,5,5-trimethylhexanoic acid
CID 167186315
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
2,2-dichloro-N-(2-hydroxyethyl)acetamide
CID 5228722
2-amino-N,N'-bis(2-hydroxyethyl)propanediamide
CID 173250932
(2R)-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-phenylpentanamide
CID 85472665
3,3-dimethyl-N-octyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 172907302
(2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 143641912

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid (CID 141293209) is [(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid is CC(C)(C)[C@H](NC(=O)O)C(=O)NCCO.
What is the InChIKey of [(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?
The InChIKey is HHKGGSJZFITEQJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,3)6(11-8(14)15)7(13)10-4-5-12/h6,11-12H,4-5H2,1-3H3,(H,10,13)(H,14,15)/t6-/m1/s1.
What are the key properties of [(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?
[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 218.25 g/mol, XLogP of -0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 141293209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).