(Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane

C16H27N3O2 — CID 144554369

IUPAC(Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane
SMILESCC1CCCCC1.NCC/C=C(/Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C9H13N3O2.C7H14/c10-3-1-2-7(9(13)14)4-8-5-11-6-12-8;1-7-5-3-2-4-6-7/h2,5-6H,1,3-4,10H2,(H,11,12)(H,13,14);7H,2-6H2,1H3/b7-2-;
InChIKeyQIPFZQVWULOPRS-YMWUIOJXSA-N
MW293.41 g/mol
LogP2.90
Rot. Bonds5

About (Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane

(Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane (PubChem CID 144554369) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane.

Molecular Properties

Compound Name(Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane
PubChem CID144554369
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane
SMILESCC1CCCCC1.NCC/C=C(/Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C9H13N3O2.C7H14/c10-3-1-2-7(9(13)14)4-8-5-11-6-12-8;1-7-5-3-2-4-6-7/h2,5-6H,1,3-4,10H2,(H,11,12)(H,13,14);7H,2-6H2,1H3/b7-2-;
InChIKeyQIPFZQVWULOPRS-YMWUIOJXSA-N
XLogP2.90
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110684132
N-cyclopentyl-2-(1H-imidazol-5-yl)acetamide
CID 110684053
2-(1H-imidazol-5-yl)acetamide;hydrochloride
CID 67500696
(2R)-2-(cycloheptanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894167
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895165
(2S)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62122922
1-(1H-imidazol-5-yl)-3-methylbutan-2-one
CID 59668993
(2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894418
(2R)-3-(1H-imidazol-5-yl)-2-[(2-methylazepane-1-carbonyl)amino]propanoic acid
CID 104895227
4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360
(2-methylcyclohexyl) (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61277437
2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 174591742

Frequently Asked Questions

What is the IUPAC name of (Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane?
The IUPAC name of (Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane (CID 144554369) is (Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane.
What is the SMILES notation for (Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane?
The canonical SMILES for (Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane is CC1CCCCC1.NCC/C=C(/Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane?
The InChIKey is QIPFZQVWULOPRS-YMWUIOJXSA-N. The full InChI is InChI=1S/C9H13N3O2.C7H14/c10-3-1-2-7(9(13)14)4-8-5-11-6-12-8;1-7-5-3-2-4-6-7/h2,5-6H,1,3-4,10H2,(H,11,12)(H,13,14);7H,2-6H2,1H3/b7-2-;.
What are the key properties of (Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane?
(Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane has a molecular weight of 293.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-amino-2-(1H-imidazol-5-ylmethyl)pent-2-enoic acid;methylcyclohexane is sourced from PubChem (CID 144554369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).