[(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid

C7H15NO4 — CID 118469879

IUPAC[(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid
SMILESCO[C@H](CO)C[C@H](C)NC(=O)O
InChIInChI=1S/C7H15NO4/c1-5(8-7(10)11)3-6(4-9)12-2/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyHBBPBNRUTDFCAT-WDSKDSINSA-N
MW177.20 g/mol
LogP0.04
Rot. Bonds5

About [(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid

[(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid (PubChem CID 118469879) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is [(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid
PubChem CID118469879
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name[(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid
SMILESCO[C@H](CO)C[C@H](C)NC(=O)O
InChIInChI=1S/C7H15NO4/c1-5(8-7(10)11)3-6(4-9)12-2/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyHBBPBNRUTDFCAT-WDSKDSINSA-N
XLogP0.04
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
[(2R)-4-iodobutan-2-yl]carbamic acid
CID 141075426
[5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid
CID 118978249
7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695
2-methoxyhexane-1,4,5-triol
CID 145388583
5-hydroxypentan-2-ylcarbamic acid
CID 87586302
[(2S)-1-sulfanylpropan-2-yl]carbamic acid
CID 135369697
(2R,3R,5S)-3,5-dimethoxy-2-methylhexane-1,6-diol
CID 10559649
(2S,3R,5S)-3,5-dimethoxy-2-methylhexane-1,6-diol
CID 10845422
(1-hydroxy-3-methylpentan-2-yl)carbamic acid
CID 22242867
(2S)-2-methoxy-3-(methylamino)propan-1-ol
CID 176680341
3-methoxy-5-(methylamino)hexan-1-ol
CID 89088247

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid?
The IUPAC name of [(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid (CID 118469879) is [(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid.
What is the SMILES notation for [(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid?
The canonical SMILES for [(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid is CO[C@H](CO)C[C@H](C)NC(=O)O.
What is the InChIKey of [(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid?
The InChIKey is HBBPBNRUTDFCAT-WDSKDSINSA-N. The full InChI is InChI=1S/C7H15NO4/c1-5(8-7(10)11)3-6(4-9)12-2/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m0/s1.
What are the key properties of [(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid?
[(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid has a molecular weight of 177.20 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid is sourced from PubChem (CID 118469879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).