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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Related Compounds

3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid
CID 141016943
3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide
CID 142647883
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate
CID 70097268
(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
CID 54413400
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride
CID 70063212
(3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide
CID 87998464
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride
CID 21199079
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride
CID 70064203
3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide
CID 59578352

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).