(3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide

C12H21N3O3 — CID 122601122

IUPAC(3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide
SMILESC[C@H](Cc1nccn1CCCO)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H21N3O3/c1-9(10(17)8-11(13)18)7-12-14-3-5-15(12)4-2-6-16/h3,5,9-10,16-17H,2,4,6-8H2,1H3,(H2,13,18)/t9-,10+/m1/s1
InChIKeyAJNDYNLZPBWWHV-ZJUUUORDSA-N
MW255.32 g/mol
LogP-0.32
Rot. Bonds8

About (3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide

(3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide (PubChem CID 122601122) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide
PubChem CID122601122
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name(3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide
SMILESC[C@H](Cc1nccn1CCCO)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H21N3O3/c1-9(10(17)8-11(13)18)7-12-14-3-5-15(12)4-2-6-16/h3,5,9-10,16-17H,2,4,6-8H2,1H3,(H2,13,18)/t9-,10+/m1/s1
InChIKeyAJNDYNLZPBWWHV-ZJUUUORDSA-N
XLogP-0.32
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide?
The IUPAC name of (3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide (CID 122601122) is (3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide is C[C@H](Cc1nccn1CCCO)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide?
The InChIKey is AJNDYNLZPBWWHV-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-9(10(17)8-11(13)18)7-12-14-3-5-15(12)4-2-6-16/h3,5,9-10,16-17H,2,4,6-8H2,1H3,(H2,13,18)/t9-,10+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide?
(3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide has a molecular weight of 255.32 g/mol, XLogP of -0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide is sourced from PubChem (CID 122601122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).