1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide

C13H22N4O — CID 95557386

IUPAC1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)(C)[C@H](Cn1ccnc1)NC(=O)C1(N)CC1
InChIInChI=1S/C13H22N4O/c1-12(2,3)10(8-17-7-6-15-9-17)16-11(18)13(14)4-5-13/h6-7,9-10H,4-5,8,14H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyWSDRFEGHHGHQAR-JTQLQIEISA-N
MW250.35 g/mol
LogP0.91
Rot. Bonds4

About 1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide

1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide (PubChem CID 95557386) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
PubChem CID95557386
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)(C)[C@H](Cn1ccnc1)NC(=O)C1(N)CC1
InChIInChI=1S/C13H22N4O/c1-12(2,3)10(8-17-7-6-15-9-17)16-11(18)13(14)4-5-13/h6-7,9-10H,4-5,8,14H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyWSDRFEGHHGHQAR-JTQLQIEISA-N
XLogP0.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide
CID 60843290
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103028936
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 81075326
(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide
CID 61155448
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)oxolane-3-carboxamide
CID 66240017
methyl 2-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propanoate
CID 66173138
2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 43695419
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786820

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide (CID 95557386) is 1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide is CC(C)(C)[C@H](Cn1ccnc1)NC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is WSDRFEGHHGHQAR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N4O/c1-12(2,3)10(8-17-7-6-15-9-17)16-11(18)13(14)4-5-13/h6-7,9-10H,4-5,8,14H2,1-3H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide?
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95557386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).