N-[(2R)-1-hydroxybutan-2-yl]formamide

C5H11NO2 — CID 55286549

IUPACN-[(2R)-1-hydroxybutan-2-yl]formamide
SMILESCC[C@H](CO)NC=O
InChIInChI=1S/C5H11NO2/c1-2-5(3-7)6-4-8/h4-5,7H,2-3H2,1H3,(H,6,8)/t5-/m1/s1
InChIKeyRNAHCRJSUOBPAM-RXMQYKEDSA-N
MW117.15 g/mol
LogP-0.50
Rot. Bonds4

About N-[(2R)-1-hydroxybutan-2-yl]formamide

N-[(2R)-1-hydroxybutan-2-yl]formamide (PubChem CID 55286549) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]formamide
PubChem CID55286549
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]formamide
SMILESCC[C@H](CO)NC=O
InChIInChI=1S/C5H11NO2/c1-2-5(3-7)6-4-8/h4-5,7H,2-3H2,1H3,(H,6,8)/t5-/m1/s1
InChIKeyRNAHCRJSUOBPAM-RXMQYKEDSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxyhexan-2-yl)formamide
CID 91256811
N-(1-hydroxyoctadecan-2-yl)formamide
CID 15354101
N-[1-(methylamino)pentan-3-yl]formamide
CID 143111562
N-heptan-4-ylformamide
CID 14473374
N-(1-formamido-2-hydroxyethyl)formamide
CID 174444023
tert-butyl 3-formamido-4-hydroxybutanoate
CID 163370404
N-(2-formamidopentyl)formamide
CID 174514121
N-[(2S)-butan-2-yl]formamide
CID 55285287
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide
CID 13227488
2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 156729799
1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
N-(1-cyanopropyl)formamide
CID 19979685

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]formamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]formamide (CID 55286549) is N-[(2R)-1-hydroxybutan-2-yl]formamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]formamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]formamide is CC[C@H](CO)NC=O.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]formamide?
The InChIKey is RNAHCRJSUOBPAM-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-5(3-7)6-4-8/h4-5,7H,2-3H2,1H3,(H,6,8)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]formamide?
N-[(2R)-1-hydroxybutan-2-yl]formamide has a molecular weight of 117.15 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]formamide is sourced from PubChem (CID 55286549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).