(3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate

C14H23N3O2 — CID 64745914

IUPAC(3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESCC1CCC(OC(=O)C(N)Cc2cnc[nH]2)CC1C
InChIInChI=1S/C14H23N3O2/c1-9-3-4-12(5-10(9)2)19-14(18)13(15)6-11-7-16-8-17-11/h7-10,12-13H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyRKFJQHUQCQDHKY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.65
Rot. Bonds4

About (3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate

(3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate (PubChem CID 64745914) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID64745914
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESCC1CCC(OC(=O)C(N)Cc2cnc[nH]2)CC1C
InChIInChI=1S/C14H23N3O2/c1-9-3-4-12(5-10(9)2)19-14(18)13(15)6-11-7-16-8-17-11/h7-10,12-13H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyRKFJQHUQCQDHKY-UHFFFAOYSA-N
XLogP1.65
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylcyclohexyl) (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61277437
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
CID 25021753
cyclopropylmethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61150588
cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61151381
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57179687
2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 106202649
chloro (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57466385
[(2S)-2-aminopropanoyl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57177492
nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 87399631
3-amino-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
CID 45260587
3-amino-4-(1H-imidazol-5-yl)butan-2-one;ethane
CID 177242295
decyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 176896524

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of (3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate (CID 64745914) is (3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for (3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for (3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate is CC1CCC(OC(=O)C(N)Cc2cnc[nH]2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is RKFJQHUQCQDHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-3-4-12(5-10(9)2)19-14(18)13(15)6-11-7-16-8-17-11/h7-10,12-13H,3-6,15H2,1-2H3,(H,16,17).
What are the key properties of (3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate?
(3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 265.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 64745914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).