N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide

C6H13NO2 — CID 13227488

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide
SMILESCC(C)[C@@H](CO)NC=O
InChIInChI=1S/C6H13NO2/c1-5(2)6(3-8)7-4-9/h4-6,8H,3H2,1-2H3,(H,7,9)/t6-/m1/s1
InChIKeyBYGBKEBPLVWZPL-ZCFIWIBFSA-N
MW131.18 g/mol
LogP-0.25
Rot. Bonds4

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide (PubChem CID 13227488) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide
PubChem CID13227488
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide
SMILESCC(C)[C@@H](CO)NC=O
InChIInChI=1S/C6H13NO2/c1-5(2)6(3-8)7-4-9/h4-6,8H,3H2,1-2H3,(H,7,9)/t6-/m1/s1
InChIKeyBYGBKEBPLVWZPL-ZCFIWIBFSA-N
XLogP-0.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide (CID 13227488) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide is CC(C)[C@@H](CO)NC=O.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide?
The InChIKey is BYGBKEBPLVWZPL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(2)6(3-8)7-4-9/h4-6,8H,3H2,1-2H3,(H,7,9)/t6-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide has a molecular weight of 131.18 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide is sourced from PubChem (CID 13227488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).