4-amino-5-(1-methylimidazol-2-yl)pentanoic acid

C9H15N3O2 — CID 62962598

IUPAC4-amino-5-(1-methylimidazol-2-yl)pentanoic acid
SMILESCn1ccnc1CC(N)CCC(=O)O
InChIInChI=1S/C9H15N3O2/c1-12-5-4-11-8(12)6-7(10)2-3-9(13)14/h4-5,7H,2-3,6,10H2,1H3,(H,13,14)
InChIKeyNRKMUENBIHBYNI-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.15
Rot. Bonds5

About 4-amino-5-(1-methylimidazol-2-yl)pentanoic acid

4-amino-5-(1-methylimidazol-2-yl)pentanoic acid (PubChem CID 62962598) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-5-(1-methylimidazol-2-yl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-(1-methylimidazol-2-yl)pentanoic acid
PubChem CID62962598
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-amino-5-(1-methylimidazol-2-yl)pentanoic acid
SMILESCn1ccnc1CC(N)CCC(=O)O
InChIInChI=1S/C9H15N3O2/c1-12-5-4-11-8(12)6-7(10)2-3-9(13)14/h4-5,7H,2-3,6,10H2,1H3,(H,13,14)
InChIKeyNRKMUENBIHBYNI-UHFFFAOYSA-N
XLogP0.15
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid
CID 64890881
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate
CID 62961673
4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 115580373
10-(1-methylimidazol-2-yl)decanoic acid
CID 69479217
3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
(2S)-2-amino-6-[bis[(1-methylimidazol-2-yl)methyl]amino]hexanoic acid
CID 46218953
2-amino-4-[(1-methylimidazol-2-yl)methylsulfanyl]butanoic acid
CID 60929872
1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine
CID 116661214
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]propanoic acid
CID 117362604

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1-methylimidazol-2-yl)pentanoic acid?
The IUPAC name of 4-amino-5-(1-methylimidazol-2-yl)pentanoic acid (CID 62962598) is 4-amino-5-(1-methylimidazol-2-yl)pentanoic acid.
What is the SMILES notation for 4-amino-5-(1-methylimidazol-2-yl)pentanoic acid?
The canonical SMILES for 4-amino-5-(1-methylimidazol-2-yl)pentanoic acid is Cn1ccnc1CC(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-(1-methylimidazol-2-yl)pentanoic acid?
The InChIKey is NRKMUENBIHBYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12-5-4-11-8(12)6-7(10)2-3-9(13)14/h4-5,7H,2-3,6,10H2,1H3,(H,13,14).
What are the key properties of 4-amino-5-(1-methylimidazol-2-yl)pentanoic acid?
4-amino-5-(1-methylimidazol-2-yl)pentanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1-methylimidazol-2-yl)pentanoic acid is sourced from PubChem (CID 62962598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).