N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide

C7H12N4O — CID 104877130

IUPACN-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide
SMILESC[C@H](CN)NC(=O)c1cnc[nH]1
InChIInChI=1S/C7H12N4O/c1-5(2-8)11-7(12)6-3-9-4-10-6/h3-5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m1/s1
InChIKeySINHKARFIXEFDG-RXMQYKEDSA-N
MW168.20 g/mol
LogP-0.51
Rot. Bonds3

About N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide

N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 104877130) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID104877130
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide
SMILESC[C@H](CN)NC(=O)c1cnc[nH]1
InChIInChI=1S/C7H12N4O/c1-5(2-8)11-7(12)6-3-9-4-10-6/h3-5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m1/s1
InChIKeySINHKARFIXEFDG-RXMQYKEDSA-N
XLogP-0.51
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide
CID 141300351
1H-imidazole-5-carbohydrazide;hydrochloride
CID 141069695
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide
CID 115310453
N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide
CID 113283771
N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
CID 83031870
N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436
N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124408
N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide
CID 102922368
methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate
CID 64539915
N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide
CID 89269736
1-(1H-imidazol-5-yl)-2-methylpropan-1-one
CID 10197729
N-[(2S)-1-aminopropan-2-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 120506653

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide (CID 104877130) is N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide is C[C@H](CN)NC(=O)c1cnc[nH]1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is SINHKARFIXEFDG-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(2-8)11-7(12)6-3-9-4-10-6/h3-5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide?
N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 104877130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).