2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide

C9H17Cl2N3O3 — CID 10062505

IUPAC2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide
SMILESNC(CC(Cl)Cl)C(=O)N[C@H]1COC(O)[C@H](N)C1
InChIInChI=1S/C9H17Cl2N3O3/c10-7(11)2-5(12)8(15)14-4-1-6(13)9(16)17-3-4/h4-7,9,16H,1-3,12-13H2,(H,14,15)/t4-,5?,6-,9?/m1/s1
InChIKeyCLZBHLQASLNAJN-COEAGPGVSA-N
MW286.16 g/mol
LogP-0.94
Rot. Bonds4

About 2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide

2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide (PubChem CID 10062505) has the molecular formula C9H17Cl2N3O3 and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide.

Molecular Properties

Compound Name2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide
PubChem CID10062505
Molecular FormulaC9H17Cl2N3O3
Molecular Weight286.16 g/mol
Exact Mass285.06
IUPAC Name2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide
SMILESNC(CC(Cl)Cl)C(=O)N[C@H]1COC(O)[C@H](N)C1
InChIInChI=1S/C9H17Cl2N3O3/c10-7(11)2-5(12)8(15)14-4-1-6(13)9(16)17-3-4/h4-7,9,16H,1-3,12-13H2,(H,14,15)/t4-,5?,6-,9?/m1/s1
InChIKeyCLZBHLQASLNAJN-COEAGPGVSA-N
XLogP-0.94
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide?
The IUPAC name of 2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide (CID 10062505) is 2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide.
What is the SMILES notation for 2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide?
The canonical SMILES for 2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide is NC(CC(Cl)Cl)C(=O)N[C@H]1COC(O)[C@H](N)C1.
What is the InChIKey of 2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide?
The InChIKey is CLZBHLQASLNAJN-COEAGPGVSA-N. The full InChI is InChI=1S/C9H17Cl2N3O3/c10-7(11)2-5(12)8(15)14-4-1-6(13)9(16)17-3-4/h4-7,9,16H,1-3,12-13H2,(H,14,15)/t4-,5?,6-,9?/m1/s1.
What are the key properties of 2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide?
2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide has a molecular weight of 286.16 g/mol, XLogP of -0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3R,5R)-5-amino-6-hydroxyoxan-3-yl]-4,4-dichlorobutanamide is sourced from PubChem (CID 10062505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).