(2S)-2-formamido-3-methylbutanamide

C6H12N2O2 — CID 22850982

IUPAC(2S)-2-formamido-3-methylbutanamide
SMILESCC(C)[C@H](NC=O)C(N)=O
InChIInChI=1S/C6H12N2O2/c1-4(2)5(6(7)10)8-3-9/h3-5H,1-2H3,(H2,7,10)(H,8,9)/t5-/m0/s1
InChIKeyLLRZMHIKPHOQDN-YFKPBYRVSA-N
MW144.17 g/mol
LogP-0.76
Rot. Bonds4

About (2S)-2-formamido-3-methylbutanamide

(2S)-2-formamido-3-methylbutanamide (PubChem CID 22850982) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S)-2-formamido-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-formamido-3-methylbutanamide
PubChem CID22850982
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2S)-2-formamido-3-methylbutanamide
SMILESCC(C)[C@H](NC=O)C(N)=O
InChIInChI=1S/C6H12N2O2/c1-4(2)5(6(7)10)8-3-9/h3-5H,1-2H3,(H2,7,10)(H,8,9)/t5-/m0/s1
InChIKeyLLRZMHIKPHOQDN-YFKPBYRVSA-N
XLogP-0.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.76
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 (2S)-2-formamido-3-methylbutanamide?
The IUPAC name of (2S)-2-formamido-3-methylbutanamide (CID 22850982) is (2S)-2-formamido-3-methylbutanamide.
What is the SMILES notation for (2S)-2-formamido-3-methylbutanamide?
The canonical SMILES for (2S)-2-formamido-3-methylbutanamide is CC(C)[C@H](NC=O)C(N)=O.
What is the InChIKey of (2S)-2-formamido-3-methylbutanamide?
The InChIKey is LLRZMHIKPHOQDN-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(2)5(6(7)10)8-3-9/h3-5H,1-2H3,(H2,7,10)(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-formamido-3-methylbutanamide?
(2S)-2-formamido-3-methylbutanamide has a molecular weight of 144.17 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-formamido-3-methylbutanamide is sourced from PubChem (CID 22850982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).