3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc

C9H13N4O3Zn- — CID 51051629

IUPAC3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc
SMILESNCCC(=O)[N-][C@@H](Cc1cnc[nH]1)C(=O)O.[Zn]
InChIInChI=1S/C9H14N4O3.Zn/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;/h4-5,7H,1-3,10H2,(H3,11,12,13,14,15,16);/p-1/t7-;/m0./s1
InChIKeyGFWBKUDRXMQSFD-FJXQXJEOSA-M
MW290.62 g/mol
LogP-0.35
Rot. Bonds6

About 3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc

3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc (PubChem CID 51051629) has the molecular formula C9H13N4O3Zn- and a molecular weight of 290.62 g/mol. Its IUPAC name is 3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc.

Molecular Properties

Compound Name3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc
PubChem CID51051629
Molecular FormulaC9H13N4O3Zn-
Molecular Weight290.62 g/mol
Exact Mass289.03
IUPAC Name3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc
SMILESNCCC(=O)[N-][C@@H](Cc1cnc[nH]1)C(=O)O.[Zn]
InChIInChI=1S/C9H14N4O3.Zn/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;/h4-5,7H,1-3,10H2,(H3,11,12,13,14,15,16);/p-1/t7-;/m0./s1
InChIKeyGFWBKUDRXMQSFD-FJXQXJEOSA-M
XLogP-0.35
TPSA123.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.62
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

L-Histidine
CID 6274
Carnosine
CID 439224
Polaprezinc
CID 9817450
Anserine
CID 112072
(2S)-2-ammonio-3-(1H-imidazol-4-yl)propanoate
CID 6971009
Histidine Monohydrochloride
CID 66091
1H-Imidazole-5-propanoic acid
CID 70630
D-Histidine
CID 71083
DL-histidine
CID 773
N-Acetyl-L-histidine
CID 75619
glycyl-L-histidyl-L-lysine
CID 73587
N-Acetyl-L-carnosine
CID 9903482

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc?
The IUPAC name of 3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc (CID 51051629) is 3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc.
What is the SMILES notation for 3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc?
The canonical SMILES for 3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc is NCCC(=O)[N-][C@@H](Cc1cnc[nH]1)C(=O)O.[Zn].
What is the InChIKey of 3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc?
The InChIKey is GFWBKUDRXMQSFD-FJXQXJEOSA-M. The full InChI is InChI=1S/C9H14N4O3.Zn/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;/h4-5,7H,1-3,10H2,(H3,11,12,13,14,15,16);/p-1/t7-;/m0./s1.
What are the key properties of 3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc?
3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc has a molecular weight of 290.62 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoyl-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc is sourced from PubChem (CID 51051629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).