2-amino-N-(3-chloro-2-oxopropyl)propanamide

C6H11ClN2O2 — CID 134870301

IUPAC2-amino-N-(3-chloro-2-oxopropyl)propanamide
SMILESCC(N)C(=O)NCC(=O)CCl
InChIInChI=1S/C6H11ClN2O2/c1-4(8)6(11)9-3-5(10)2-7/h4H,2-3,8H2,1H3,(H,9,11)
InChIKeyMHNKYLOLJDSSQV-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.74
Rot. Bonds4

About 2-amino-N-(3-chloro-2-oxopropyl)propanamide

2-amino-N-(3-chloro-2-oxopropyl)propanamide (PubChem CID 134870301) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-2-oxopropyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-2-oxopropyl)propanamide
PubChem CID134870301
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name2-amino-N-(3-chloro-2-oxopropyl)propanamide
SMILESCC(N)C(=O)NCC(=O)CCl
InChIInChI=1S/C6H11ClN2O2/c1-4(8)6(11)9-3-5(10)2-7/h4H,2-3,8H2,1H3,(H,9,11)
InChIKeyMHNKYLOLJDSSQV-UHFFFAOYSA-N
XLogP-0.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-2-oxopropyl)propanamide?
The IUPAC name of 2-amino-N-(3-chloro-2-oxopropyl)propanamide (CID 134870301) is 2-amino-N-(3-chloro-2-oxopropyl)propanamide.
What is the SMILES notation for 2-amino-N-(3-chloro-2-oxopropyl)propanamide?
The canonical SMILES for 2-amino-N-(3-chloro-2-oxopropyl)propanamide is CC(N)C(=O)NCC(=O)CCl.
What is the InChIKey of 2-amino-N-(3-chloro-2-oxopropyl)propanamide?
The InChIKey is MHNKYLOLJDSSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c1-4(8)6(11)9-3-5(10)2-7/h4H,2-3,8H2,1H3,(H,9,11).
What are the key properties of 2-amino-N-(3-chloro-2-oxopropyl)propanamide?
2-amino-N-(3-chloro-2-oxopropyl)propanamide has a molecular weight of 178.62 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-2-oxopropyl)propanamide is sourced from PubChem (CID 134870301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).