(2S,3S)-2-formamido-3-methylpentanoic acid

C7H13NO3 — CID 11252157

IUPAC(2S,3S)-2-formamido-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-3-5(2)6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-,6-/m0/s1
InChIKeyIONXXIKCTQHZNC-WDSKDSINSA-N
MW159.18 g/mol
LogP0.23
Rot. Bonds5

About (2S,3S)-2-formamido-3-methylpentanoic acid

(2S,3S)-2-formamido-3-methylpentanoic acid (PubChem CID 11252157) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2S,3S)-2-formamido-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-formamido-3-methylpentanoic acid
PubChem CID11252157
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2S,3S)-2-formamido-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-3-5(2)6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-,6-/m0/s1
InChIKeyIONXXIKCTQHZNC-WDSKDSINSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.23
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,3S)-2-formamido-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-formamido-3-methylpentanoic acid (CID 11252157) is (2S,3S)-2-formamido-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-formamido-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-formamido-3-methylpentanoic acid is CC[C@H](C)[C@H](NC=O)C(=O)O.
What is the InChIKey of (2S,3S)-2-formamido-3-methylpentanoic acid?
The InChIKey is IONXXIKCTQHZNC-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-5(2)6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2-formamido-3-methylpentanoic acid?
(2S,3S)-2-formamido-3-methylpentanoic acid has a molecular weight of 159.18 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-formamido-3-methylpentanoic acid is sourced from PubChem (CID 11252157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).