(2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid

C8H13NO4 — CID 163831656

IUPAC(2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid
SMILESO=N[C@@H](CC1CCC1)[C@@H](O)C(=O)O
InChIInChI=1S/C8H13NO4/c10-7(8(11)12)6(9-13)4-5-2-1-3-5/h5-7,10H,1-4H2,(H,11,12)/t6-,7+/m0/s1
InChIKeyOEDDFVXYZPXHRR-NKWVEPMBSA-N
MW187.19 g/mol
LogP0.76
Rot. Bonds5

About (2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid

(2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid (PubChem CID 163831656) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid.

Molecular Properties

Compound Name(2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid
PubChem CID163831656
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid
SMILESO=N[C@@H](CC1CCC1)[C@@H](O)C(=O)O
InChIInChI=1S/C8H13NO4/c10-7(8(11)12)6(9-13)4-5-2-1-3-5/h5-7,10H,1-4H2,(H,11,12)/t6-,7+/m0/s1
InChIKeyOEDDFVXYZPXHRR-NKWVEPMBSA-N
XLogP0.76
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
3-cyclobutyl-2-cyclopropylpropanoic acid
CID 115013430
4-cyclobutyl-2-hydroxy-3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanoic acid
CID 143738925
4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid
CID 70425259
2-(cyclobutylmethyl)-3-hydroxypropanoic acid
CID 130150360
(2R)-2-cyclobutyl-3-cyclopropylpropanoic acid
CID 99988116
(2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid
CID 167015607
3-cyclohexyl-2-iodopropanoic acid
CID 150221699
(2R)-2-chloro-3-cyclohexylpropanoic acid
CID 86657609
(2S)-2-bromo-3-cyclohexylpropanoic acid
CID 58736783
2-amino-3-(3-nitrosocyclohexyl)propanoic acid
CID 170636643
(2S)-2-cyclobutyl-2-hydroxyacetic acid
CID 118175739

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid?
The IUPAC name of (2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid (CID 163831656) is (2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid.
What is the SMILES notation for (2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid?
The canonical SMILES for (2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid is O=N[C@@H](CC1CCC1)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid?
The InChIKey is OEDDFVXYZPXHRR-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H13NO4/c10-7(8(11)12)6(9-13)4-5-2-1-3-5/h5-7,10H,1-4H2,(H,11,12)/t6-,7+/m0/s1.
What are the key properties of (2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid?
(2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid has a molecular weight of 187.19 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-cyclobutyl-2-hydroxy-3-nitrosobutanoic acid is sourced from PubChem (CID 163831656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).