(2S)-2-amino-N-formylpropanamide

C4H8N2O2 — CID 102003310

IUPAC(2S)-2-amino-N-formylpropanamide
SMILESC[C@H](N)C(=O)NC=O
InChIInChI=1S/C4H8N2O2/c1-3(5)4(8)6-2-7/h2-3H,5H2,1H3,(H,6,7,8)/t3-/m0/s1
InChIKeyIMKNRUHTZPXVPD-VKHMYHEASA-N
MW116.12 g/mol
LogP-1.39
Rot. Bonds2

About (2S)-2-amino-N-formylpropanamide

(2S)-2-amino-N-formylpropanamide (PubChem CID 102003310) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is (2S)-2-amino-N-formylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-formylpropanamide
PubChem CID102003310
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name(2S)-2-amino-N-formylpropanamide
SMILESC[C@H](N)C(=O)NC=O
InChIInChI=1S/C4H8N2O2/c1-3(5)4(8)6-2-7/h2-3H,5H2,1H3,(H,6,7,8)/t3-/m0/s1
InChIKeyIMKNRUHTZPXVPD-VKHMYHEASA-N
XLogP-1.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-N-formylpropanamide?
The IUPAC name of (2S)-2-amino-N-formylpropanamide (CID 102003310) is (2S)-2-amino-N-formylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-formylpropanamide?
The canonical SMILES for (2S)-2-amino-N-formylpropanamide is C[C@H](N)C(=O)NC=O.
What is the InChIKey of (2S)-2-amino-N-formylpropanamide?
The InChIKey is IMKNRUHTZPXVPD-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N2O2/c1-3(5)4(8)6-2-7/h2-3H,5H2,1H3,(H,6,7,8)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-N-formylpropanamide?
(2S)-2-amino-N-formylpropanamide has a molecular weight of 116.12 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-formylpropanamide is sourced from PubChem (CID 102003310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).