5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid

C11H15N3O6 — CID 123421350

IUPAC5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid
SMILESO=C(O)CC(O)CC(=O)NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C11H15N3O6/c15-7(3-10(17)18)2-9(16)14-8(11(19)20)1-6-4-12-5-13-6/h4-5,7-8,15H,1-3H2,(H,12,13)(H,14,16)(H,17,18)(H,19,20)
InChIKeyOAIPCSLSHVHTID-UHFFFAOYSA-N
MW285.26 g/mol
LogP-1.25
Rot. Bonds8

About 5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid

5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid (PubChem CID 123421350) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid
PubChem CID123421350
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid
SMILESO=C(O)CC(O)CC(=O)NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C11H15N3O6/c15-7(3-10(17)18)2-9(16)14-8(11(19)20)1-6-4-12-5-13-6/h4-5,7-8,15H,1-3H2,(H,12,13)(H,14,16)(H,17,18)(H,19,20)
InChIKeyOAIPCSLSHVHTID-UHFFFAOYSA-N
XLogP-1.25
TPSA152.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-1.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2-chloroacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 156779892
(2S)-2-(3-hydroxypropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 14308140
2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 107864243
2-[(3-cyano-4,4,4-trifluorobutanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 70572828
5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 129303291
(2R)-2-[[(3S)-3-amino-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 23642271
(2R)-2-(3-aminohexanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894534
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 175906172
(2R)-3-(1H-imidazol-5-yl)-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 103870385
(2S)-2-[(2-cyanoacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 11379048
(2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894253
(2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 28777519

Frequently Asked Questions

What is the IUPAC name of 5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid?
The IUPAC name of 5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid (CID 123421350) is 5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid?
The canonical SMILES for 5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid is O=C(O)CC(O)CC(=O)NC(Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of 5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid?
The InChIKey is OAIPCSLSHVHTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6/c15-7(3-10(17)18)2-9(16)14-8(11(19)20)1-6-4-12-5-13-6/h4-5,7-8,15H,1-3H2,(H,12,13)(H,14,16)(H,17,18)(H,19,20).
What are the key properties of 5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid?
5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid has a molecular weight of 285.26 g/mol, XLogP of -1.25, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid is sourced from PubChem (CID 123421350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).