1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid

C7H11N3O2 — CID 68743487

IUPAC1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid
SMILESCC(Cc1ncc[nH]1)NC(=O)O
InChIInChI=1S/C7H11N3O2/c1-5(10-7(11)12)4-6-8-2-3-9-6/h2-3,5,10H,4H2,1H3,(H,8,9)(H,11,12)
InChIKeyCXWUIPMYCYDMSA-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.61
Rot. Bonds3

About 1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid

1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid (PubChem CID 68743487) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid
PubChem CID68743487
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid
SMILESCC(Cc1ncc[nH]1)NC(=O)O
InChIInChI=1S/C7H11N3O2/c1-5(10-7(11)12)4-6-8-2-3-9-6/h2-3,5,10H,4H2,1H3,(H,8,9)(H,11,12)
InChIKeyCXWUIPMYCYDMSA-UHFFFAOYSA-N
XLogP0.61
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide
CID 67833765
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
CID 17498145
ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate
CID 18604488
2-(2-bromopropyl)-1H-imidazole
CID 61096377
3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide
CID 115655790
4-(1H-imidazol-2-ylmethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498569
benzyl N-[1-(1H-imidazol-2-yl)-3-methylbutan-2-yl]carbamate
CID 18934604
acetic acid;cobalt;bis(2-ethyl-1H-imidazole)
CID 5257802
tris((2S)-3-(1H-imidazol-2-yl)-N-methyl-2-(methylamino)propanamide);molecular iodine;zinc
CID 159201596
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide
CID 17454227
3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid
CID 57004426

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid?
The IUPAC name of 1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid (CID 68743487) is 1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid.
What is the SMILES notation for 1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid?
The canonical SMILES for 1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid is CC(Cc1ncc[nH]1)NC(=O)O.
What is the InChIKey of 1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid?
The InChIKey is CXWUIPMYCYDMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(10-7(11)12)4-6-8-2-3-9-6/h2-3,5,10H,4H2,1H3,(H,8,9)(H,11,12).
What are the key properties of 1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid?
1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid has a molecular weight of 169.18 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid is sourced from PubChem (CID 68743487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).