(2S)-2-amino-N-prop-2-enoylpropanamide

C6H10N2O2 — CID 22811246

IUPAC(2S)-2-amino-N-prop-2-enoylpropanamide
SMILESC=CC(=O)NC(=O)[C@H](C)N
InChIInChI=1S/C6H10N2O2/c1-3-5(9)8-6(10)4(2)7/h3-4H,1,7H2,2H3,(H,8,9,10)/t4-/m0/s1
InChIKeyZMPKMDPMKHVBGQ-BYPYZUCNSA-N
MW142.16 g/mol
LogP-0.84
Rot. Bonds2

About (2S)-2-amino-N-prop-2-enoylpropanamide

(2S)-2-amino-N-prop-2-enoylpropanamide (PubChem CID 22811246) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (2S)-2-amino-N-prop-2-enoylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-prop-2-enoylpropanamide
PubChem CID22811246
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(2S)-2-amino-N-prop-2-enoylpropanamide
SMILESC=CC(=O)NC(=O)[C@H](C)N
InChIInChI=1S/C6H10N2O2/c1-3-5(9)8-6(10)4(2)7/h3-4H,1,7H2,2H3,(H,8,9,10)/t4-/m0/s1
InChIKeyZMPKMDPMKHVBGQ-BYPYZUCNSA-N
XLogP-0.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-prop-2-enoylpropanamide?
The IUPAC name of (2S)-2-amino-N-prop-2-enoylpropanamide (CID 22811246) is (2S)-2-amino-N-prop-2-enoylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-prop-2-enoylpropanamide?
The canonical SMILES for (2S)-2-amino-N-prop-2-enoylpropanamide is C=CC(=O)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-prop-2-enoylpropanamide?
The InChIKey is ZMPKMDPMKHVBGQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3-5(9)8-6(10)4(2)7/h3-4H,1,7H2,2H3,(H,8,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-N-prop-2-enoylpropanamide?
(2S)-2-amino-N-prop-2-enoylpropanamide has a molecular weight of 142.16 g/mol, XLogP of -0.84, 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-prop-2-enoylpropanamide is sourced from PubChem (CID 22811246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).