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

C9H13N4O3Zn- — CID 11493019

IUPAC3-aminopropanoyl-[(1R)-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-;/m1./s1
InChIKeyGFWBKUDRXMQSFD-OGFXRTJISA-M
MW290.62 g/mol
LogP-0.35
Rot. Bonds6

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

3-aminopropanoyl-[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc (PubChem CID 11493019) has the molecular formula C9H13N4O3Zn- and a molecular weight of 290.62 g/mol. Its IUPAC name is 3-aminopropanoyl-[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc.

Molecular Properties

Compound Name3-aminopropanoyl-[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc
PubChem CID11493019
Molecular FormulaC9H13N4O3Zn-
Molecular Weight290.62 g/mol
Exact Mass289.03
IUPAC Name3-aminopropanoyl-[(1R)-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-;/m1./s1
InChIKeyGFWBKUDRXMQSFD-OGFXRTJISA-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

[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium
CID 86580368
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;zinc;dihydrate
CID 67532812
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid
CID 18976964
2-amino-3-(1H-imidazol-5-yl)propanoic acid;molybdenum
CID 174573236
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124498
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde
CID 67449717
2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride
CID 517335

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoyl-[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc?
The IUPAC name of 3-aminopropanoyl-[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc (CID 11493019) is 3-aminopropanoyl-[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc.
What is the SMILES notation for 3-aminopropanoyl-[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc?
The canonical SMILES for 3-aminopropanoyl-[(1R)-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-[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc?
The InChIKey is GFWBKUDRXMQSFD-OGFXRTJISA-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-;/m1./s1.
What are the key properties of 3-aminopropanoyl-[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc?
3-aminopropanoyl-[(1R)-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-[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanide;zinc is sourced from PubChem (CID 11493019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).