5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid

C10H15N3O3 — CID 170307325

IUPAC5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid
SMILESCCN(C(=O)CCCC(=O)O)c1cnc[nH]1
InChIInChI=1S/C10H15N3O3/c1-2-13(8-6-11-7-12-8)9(14)4-3-5-10(15)16/h6-7H,2-5H2,1H3,(H,11,12)(H,15,16)
InChIKeyIELXWBUMBXOSRS-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.02
Rot. Bonds6

About 5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid

5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid (PubChem CID 170307325) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid
PubChem CID170307325
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid
SMILESCCN(C(=O)CCCC(=O)O)c1cnc[nH]1
InChIInChI=1S/C10H15N3O3/c1-2-13(8-6-11-7-12-8)9(14)4-3-5-10(15)16/h6-7H,2-5H2,1H3,(H,11,12)(H,15,16)
InChIKeyIELXWBUMBXOSRS-UHFFFAOYSA-N
XLogP1.02
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloro-N-ethylanilino)-5-oxopentanoic acid
CID 59823928
N-ethyl-N-methyl-1H-imidazol-5-amine
CID 163951508
3-[ethyl(1H-imidazol-5-ylmethyl)amino]propanoic acid
CID 84758753
amino(1H-imidazol-5-yl)carbamic acid
CID 174744446
3-[[cyano(1H-imidazol-5-yl)methyl]-ethylamino]propanoic acid
CID 84757977
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
erbium;pentanedioic acid
CID 87931794
N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide
CID 19593146
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323
N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide
CID 22925154
(2S)-2-amino-4-[1H-imidazol-5-yl(methyl)amino]butanoic acid
CID 89124227
1,1-diethyl-3-(1H-imidazol-5-ylmethyl)urea
CID 79161079

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid (CID 170307325) is 5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid is CCN(C(=O)CCCC(=O)O)c1cnc[nH]1.
What is the InChIKey of 5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid?
The InChIKey is IELXWBUMBXOSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-13(8-6-11-7-12-8)9(14)4-3-5-10(15)16/h6-7H,2-5H2,1H3,(H,11,12)(H,15,16).
What are the key properties of 5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid?
5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid has a molecular weight of 225.25 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(1H-imidazol-5-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 170307325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).