N-[(2S)-butan-2-yl]formamide

C5H11NO — CID 55285287

IUPACN-[(2S)-butan-2-yl]formamide
SMILESCC[C@H](C)NC=O
InChIInChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m0/s1
InChIKeyNRMJMIGWXUCEEW-YFKPBYRVSA-N
MW101.15 g/mol
LogP0.53
Rot. Bonds3

About N-[(2S)-butan-2-yl]formamide

N-[(2S)-butan-2-yl]formamide (PubChem CID 55285287) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]formamide
PubChem CID55285287
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN-[(2S)-butan-2-yl]formamide
SMILESCC[C@H](C)NC=O
InChIInChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m0/s1
InChIKeyNRMJMIGWXUCEEW-YFKPBYRVSA-N
XLogP0.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2S)-butan-2-yl]formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]formamide?
The IUPAC name of N-[(2S)-butan-2-yl]formamide (CID 55285287) is N-[(2S)-butan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]formamide?
The canonical SMILES for N-[(2S)-butan-2-yl]formamide is CC[C@H](C)NC=O.
What is the InChIKey of N-[(2S)-butan-2-yl]formamide?
The InChIKey is NRMJMIGWXUCEEW-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]formamide?
N-[(2S)-butan-2-yl]formamide has a molecular weight of 101.15 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]formamide is sourced from PubChem (CID 55285287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).