(2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide

C10H18N4O2 — CID 137344532

IUPAC(2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C10H18N4O2/c1-8(11-2)10(16)14(5-6-15)7-9-12-3-4-13-9/h3-4,8,11,15H,5-7H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeySHRXKLBTQUXZQG-QMMMGPOBSA-N
MW226.28 g/mol
LogP-0.66
Rot. Bonds6

About (2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide

(2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide (PubChem CID 137344532) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide
PubChem CID137344532
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name(2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C10H18N4O2/c1-8(11-2)10(16)14(5-6-15)7-9-12-3-4-13-9/h3-4,8,11,15H,5-7H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeySHRXKLBTQUXZQG-QMMMGPOBSA-N
XLogP-0.66
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methyl-2-(methylamino)pentanamide
CID 137339926
(2R,3S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(methylamino)pentanamide;dihydrochloride
CID 154916259
(2S,3S)-2-amino-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-3-methylpentanamide;dihydrochloride
CID 154918160
2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 135115094
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide
CID 135112882
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 64511881
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide
CID 64510546
N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 135117198
cis-(1R,2S)-1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,2-dicarboxamide
CID 135100104
2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 137343230
N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide
CID 135096164

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide (CID 137344532) is (2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide is CN[C@@H](C)C(=O)N(CCO)Cc1ncc[nH]1.
What is the InChIKey of (2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide?
The InChIKey is SHRXKLBTQUXZQG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(11-2)10(16)14(5-6-15)7-9-12-3-4-13-9/h3-4,8,11,15H,5-7H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide?
(2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide has a molecular weight of 226.28 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide is sourced from PubChem (CID 137344532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).