methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate

C10H15N3O3 — CID 62659533

IUPACmethyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1cnc[nH]1
InChIInChI=1S/C10H15N3O3/c1-13(5-3-4-9(14)16-2)10(15)8-6-11-7-12-8/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyGBMZSEVJLVAKPD-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.43
Rot. Bonds5

About methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate

methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate (PubChem CID 62659533) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate
PubChem CID62659533
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1cnc[nH]1
InChIInChI=1S/C10H15N3O3/c1-13(5-3-4-9(14)16-2)10(15)8-6-11-7-12-8/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyGBMZSEVJLVAKPD-UHFFFAOYSA-N
XLogP0.43
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 54943132
methyl 4-[(3-chloropyridine-4-carbonyl)-methylamino]butanoate
CID 66484508
methyl 4-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoate
CID 66335427
methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate
CID 55219475
methyl 6-(1H-imidazol-5-yl)hexanoate
CID 151564733
methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate
CID 55006160
methyl 4-[[4-(hydroxymethyl)benzoyl]-methylamino]butanoate
CID 55006062
methyl 4-(1H-imidazol-5-ylmethylamino)butanoate
CID 62763202
methyl 4-[(5-amino-2,4-dimethylbenzoyl)-methylamino]butanoate
CID 102705214
N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
CID 123395094
N-(3-methoxypropyl)-1H-imidazole-5-carboxamide
CID 110684258
methyl 4-[(3-amino-4-methylbenzoyl)-methylamino]butanoate
CID 60947543

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate (CID 62659533) is methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate is COC(=O)CCCN(C)C(=O)c1cnc[nH]1.
What is the InChIKey of methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate?
The InChIKey is GBMZSEVJLVAKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-13(5-3-4-9(14)16-2)10(15)8-6-11-7-12-8/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate?
methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate has a molecular weight of 225.25 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate is sourced from PubChem (CID 62659533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).