N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide

C10H17N3O3 — CID 66171307

IUPACN-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide
SMILESCC(O)(CO)CNC(=O)CCn1ccnc1
InChIInChI=1S/C10H17N3O3/c1-10(16,7-14)6-12-9(15)2-4-13-5-3-11-8-13/h3,5,8,14,16H,2,4,6-7H2,1H3,(H,12,15)
InChIKeyVLHPMJVGJYOJKJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.87
Rot. Bonds6

About N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide

N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide (PubChem CID 66171307) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide
PubChem CID66171307
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide
SMILESCC(O)(CO)CNC(=O)CCn1ccnc1
InChIInChI=1S/C10H17N3O3/c1-10(16,7-14)6-12-9(15)2-4-13-5-3-11-8-13/h3,5,8,14,16H,2,4,6-7H2,1H3,(H,12,15)
InChIKeyVLHPMJVGJYOJKJ-UHFFFAOYSA-N
XLogP-0.87
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-imidazol-1-ylpropanoylamino)-2,2-dimethylpropanoic acid
CID 115427121
N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide
CID 114383724
N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide
CID 111483635
3-(3-imidazol-1-ylpropylamino)-2-methylpropane-1,2-diol
CID 66186936
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide
CID 109380543
N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 66169212
2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 103429654
N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
CID 115283469
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783
N-[(2R)-1-hydroxybutan-2-yl]-3-imidazol-1-ylpropanamide
CID 103919885
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide (CID 66171307) is N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide is CC(O)(CO)CNC(=O)CCn1ccnc1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide?
The InChIKey is VLHPMJVGJYOJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(16,7-14)6-12-9(15)2-4-13-5-3-11-8-13/h3,5,8,14,16H,2,4,6-7H2,1H3,(H,12,15).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide?
N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide has a molecular weight of 227.26 g/mol, XLogP of -0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 66171307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).