3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide

C7H13ClN2O2 — CID 171058651

IUPAC3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide
SMILESNC(CC1CC1)C(O)C(=O)NCl
InChIInChI=1S/C7H13ClN2O2/c8-10-7(12)6(11)5(9)3-4-1-2-4/h4-6,11H,1-3,9H2,(H,10,12)
InChIKeyKBAJODOQBQEIBM-UHFFFAOYSA-N
MW192.65 g/mol
LogP-0.26
Rot. Bonds4

About 3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide

3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide (PubChem CID 171058651) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide.

Molecular Properties

Compound Name3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide
PubChem CID171058651
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC Name3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide
SMILESNC(CC1CC1)C(O)C(=O)NCl
InChIInChI=1S/C7H13ClN2O2/c8-10-7(12)6(11)5(9)3-4-1-2-4/h4-6,11H,1-3,9H2,(H,10,12)
InChIKeyKBAJODOQBQEIBM-UHFFFAOYSA-N
XLogP-0.26
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide?
The IUPAC name of 3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide (CID 171058651) is 3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide.
What is the SMILES notation for 3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide?
The canonical SMILES for 3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide is NC(CC1CC1)C(O)C(=O)NCl.
What is the InChIKey of 3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide?
The InChIKey is KBAJODOQBQEIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O2/c8-10-7(12)6(11)5(9)3-4-1-2-4/h4-6,11H,1-3,9H2,(H,10,12).
What are the key properties of 3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide?
3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide has a molecular weight of 192.65 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide is sourced from PubChem (CID 171058651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).