1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid

C14H24N4O2 — CID 79564234

IUPAC1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCN(CCC1CCCC1(N)C(=O)O)Cc1nccn1C
InChIInChI=1S/C14H24N4O2/c1-17(10-12-16-7-9-18(12)2)8-5-11-4-3-6-14(11,15)13(19)20/h7,9,11H,3-6,8,10,15H2,1-2H3,(H,19,20)
InChIKeySHRISYRPAPZVKD-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.82
Rot. Bonds6

About 1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid

1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79564234) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid
PubChem CID79564234
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCN(CCC1CCCC1(N)C(=O)O)Cc1nccn1C
InChIInChI=1S/C14H24N4O2/c1-17(10-12-16-7-9-18(12)2)8-5-11-4-3-6-14(11,15)13(19)20/h7,9,11H,3-6,8,10,15H2,1-2H3,(H,19,20)
InChIKeySHRISYRPAPZVKD-UHFFFAOYSA-N
XLogP0.82
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79571562
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 55179736
1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 60962598
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63013604
1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid
CID 79564083
2-cyclopropyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
CID 114990475
N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 54873646
N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025023
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 82768436
4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 63021596

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid (CID 79564234) is 1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid is CN(CCC1CCCC1(N)C(=O)O)Cc1nccn1C.
What is the InChIKey of 1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is SHRISYRPAPZVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-17(10-12-16-7-9-18(12)2)8-5-11-4-3-6-14(11,15)13(19)20/h7,9,11H,3-6,8,10,15H2,1-2H3,(H,19,20).
What are the key properties of 1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid?
1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79564234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).