N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide

C10H17N3O3 — CID 155074787

IUPACN-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide
SMILESO=C(CCc1cnc[nH]1)NCC(CO)CO
InChIInChI=1S/C10H17N3O3/c14-5-8(6-15)3-12-10(16)2-1-9-4-11-7-13-9/h4,7-8,14-15H,1-3,5-6H2,(H,11,13)(H,12,16)
InChIKeyYUYVBWNGFRASTF-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.94
Rot. Bonds7

About N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide

N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide (PubChem CID 155074787) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide
PubChem CID155074787
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide
SMILESO=C(CCc1cnc[nH]1)NCC(CO)CO
InChIInChI=1S/C10H17N3O3/c14-5-8(6-15)3-12-10(16)2-1-9-4-11-7-13-9/h4,7-8,14-15H,1-3,5-6H2,(H,11,13)(H,12,16)
InChIKeyYUYVBWNGFRASTF-UHFFFAOYSA-N
XLogP-0.94
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one
CID 91011119
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
CID 107910201
3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide
CID 118336768
3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 167113922
3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 110697872
N-[2-(2,4-dichlorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 110697902
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide
CID 67121943
3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 112532409

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide (CID 155074787) is N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide is O=C(CCc1cnc[nH]1)NCC(CO)CO.
What is the InChIKey of N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is YUYVBWNGFRASTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c14-5-8(6-15)3-12-10(16)2-1-9-4-11-7-13-9/h4,7-8,14-15H,1-3,5-6H2,(H,11,13)(H,12,16).
What are the key properties of N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide?
N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 227.26 g/mol, XLogP of -0.94, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 155074787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).