N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide

C9H16N4O2 — CID 106180129

IUPACN-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide
SMILESCOCC(CN)NC(=O)c1cn(C)cn1
InChIInChI=1S/C9H16N4O2/c1-13-4-8(11-6-13)9(14)12-7(3-10)5-15-2/h4,6-7H,3,5,10H2,1-2H3,(H,12,14)
InChIKeyDNTVOGGHMWPHME-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.88
Rot. Bonds5

About N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide

N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide (PubChem CID 106180129) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide
PubChem CID106180129
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide
SMILESCOCC(CN)NC(=O)c1cn(C)cn1
InChIInChI=1S/C9H16N4O2/c1-13-4-8(11-6-13)9(14)12-7(3-10)5-15-2/h4,6-7H,3,5,10H2,1-2H3,(H,12,14)
InChIKeyDNTVOGGHMWPHME-UHFFFAOYSA-N
XLogP-0.88
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
CID 107973269
N-(2-amino-1-cyclopropylethyl)-1-methylimidazole-4-carboxamide
CID 107973326
5,5-dimethyl-3-[(1-methylimidazole-4-carbonyl)amino]hexanoic acid
CID 107971710
N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
CID 103860562
N-(4-chloropentan-2-yl)-1-methylimidazole-4-carboxamide
CID 107975233
(2R)-4-amino-2-[(1-methylimidazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 107971770
N-(4-amino-4-sulfanylidenebutan-2-yl)-1-methylimidazole-4-carboxamide
CID 107972197
4-methoxy-1-(1-methylimidazol-4-yl)butan-1-one
CID 107977511
N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide
CID 107973594
N-(2-aminoethyl)-N-(2-methoxyethyl)-1-methylimidazole-4-carboxamide
CID 107975606
4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid
CID 107971121
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-methylimidazole-4-carboxamide
CID 107974224

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide (CID 106180129) is N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide is COCC(CN)NC(=O)c1cn(C)cn1.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide?
The InChIKey is DNTVOGGHMWPHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-13-4-8(11-6-13)9(14)12-7(3-10)5-15-2/h4,6-7H,3,5,10H2,1-2H3,(H,12,14).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide?
N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 106180129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).