(2S)-2-formamido-3-methylbutanoic acid

C6H11NO3 — CID 6950945

IUPAC(2S)-2-formamido-3-methylbutanoic acid
SMILESCC(C)[C@H](NC=O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(2)5(6(9)10)7-3-8/h3-5H,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1
InChIKeyQBYYLBWFBPAOKU-YFKPBYRVSA-N
MW145.16 g/mol
LogP-0.16
Rot. Bonds4

About (2S)-2-formamido-3-methylbutanoic acid

(2S)-2-formamido-3-methylbutanoic acid (PubChem CID 6950945) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2S)-2-formamido-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-formamido-3-methylbutanoic acid
PubChem CID6950945
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2S)-2-formamido-3-methylbutanoic acid
SMILESCC(C)[C@H](NC=O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(2)5(6(9)10)7-3-8/h3-5H,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1
InChIKeyQBYYLBWFBPAOKU-YFKPBYRVSA-N
XLogP-0.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.16
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-methylbutanoic acid?
The IUPAC name of (2S)-2-formamido-3-methylbutanoic acid (CID 6950945) is (2S)-2-formamido-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-formamido-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-formamido-3-methylbutanoic acid is CC(C)[C@H](NC=O)C(=O)O.
What is the InChIKey of (2S)-2-formamido-3-methylbutanoic acid?
The InChIKey is QBYYLBWFBPAOKU-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(2)5(6(9)10)7-3-8/h3-5H,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2-formamido-3-methylbutanoic acid?
(2S)-2-formamido-3-methylbutanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.16, 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-methylbutanoic acid is sourced from PubChem (CID 6950945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).