4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide

C12H25N3O6 — CID 164843996

IUPAC4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide
SMILESCO[C@@H]1[C@@H](O)[C@H](NC(=O)C(O)C(O)CN)C[C@H](N)[C@H]1OC
InChIInChI=1S/C12H25N3O6/c1-20-10-5(14)3-6(8(17)11(10)21-2)15-12(19)9(18)7(16)4-13/h5-11,16-18H,3-4,13-14H2,1-2H3,(H,15,19)/t5-,6+,7?,8-,9?,10+,11+/m0/s1
InChIKeyIYRNJFVROFAOBB-KKIAJMMVSA-N
MW307.35 g/mol
LogP-3.73
Rot. Bonds6

About 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide

4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide (PubChem CID 164843996) has the molecular formula C12H25N3O6 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide.

Molecular Properties

Compound Name4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide
PubChem CID164843996
Molecular FormulaC12H25N3O6
Molecular Weight307.35 g/mol
Exact Mass307.17
IUPAC Name4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide
SMILESCO[C@@H]1[C@@H](O)[C@H](NC(=O)C(O)C(O)CN)C[C@H](N)[C@H]1OC
InChIInChI=1S/C12H25N3O6/c1-20-10-5(14)3-6(8(17)11(10)21-2)15-12(19)9(18)7(16)4-13/h5-11,16-18H,3-4,13-14H2,1-2H3,(H,15,19)/t5-,6+,7?,8-,9?,10+,11+/m0/s1
InChIKeyIYRNJFVROFAOBB-KKIAJMMVSA-N
XLogP-3.73
TPSA160.29 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.35
LogP ≤ 5-3.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide?
The IUPAC name of 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide (CID 164843996) is 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide.
What is the SMILES notation for 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide?
The canonical SMILES for 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide is CO[C@@H]1[C@@H](O)[C@H](NC(=O)C(O)C(O)CN)C[C@H](N)[C@H]1OC.
What is the InChIKey of 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide?
The InChIKey is IYRNJFVROFAOBB-KKIAJMMVSA-N. The full InChI is InChI=1S/C12H25N3O6/c1-20-10-5(14)3-6(8(17)11(10)21-2)15-12(19)9(18)7(16)4-13/h5-11,16-18H,3-4,13-14H2,1-2H3,(H,15,19)/t5-,6+,7?,8-,9?,10+,11+/m0/s1.
What are the key properties of 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide?
4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide has a molecular weight of 307.35 g/mol, XLogP of -3.73, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide is sourced from PubChem (CID 164843996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).