(2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide

C7H12N2O3 — CID 89101575

IUPAC(2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide
SMILESC=CC[C@H](NC(=O)CO)C(N)=O
InChIInChI=1S/C7H12N2O3/c1-2-3-5(7(8)12)9-6(11)4-10/h2,5,10H,1,3-4H2,(H2,8,12)(H,9,11)/t5-/m0/s1
InChIKeyWQEFXYNECOLYJK-YFKPBYRVSA-N
MW172.18 g/mol
LogP-1.48
Rot. Bonds5

About (2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide

(2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide (PubChem CID 89101575) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide.

Molecular Properties

Compound Name(2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide
PubChem CID89101575
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide
SMILESC=CC[C@H](NC(=O)CO)C(N)=O
InChIInChI=1S/C7H12N2O3/c1-2-3-5(7(8)12)9-6(11)4-10/h2,5,10H,1,3-4H2,(H2,8,12)(H,9,11)/t5-/m0/s1
InChIKeyWQEFXYNECOLYJK-YFKPBYRVSA-N
XLogP-1.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide?
The IUPAC name of (2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide (CID 89101575) is (2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide.
What is the SMILES notation for (2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide?
The canonical SMILES for (2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide is C=CC[C@H](NC(=O)CO)C(N)=O.
What is the InChIKey of (2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide?
The InChIKey is WQEFXYNECOLYJK-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-2-3-5(7(8)12)9-6(11)4-10/h2,5,10H,1,3-4H2,(H2,8,12)(H,9,11)/t5-/m0/s1.
What are the key properties of (2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide?
(2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide has a molecular weight of 172.18 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide is sourced from PubChem (CID 89101575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).