[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium

C6H10N3O2+ — CID 86580368

IUPAC[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium
SMILES[NH3+][C@@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
InChIKeyHNDVDQJCIGZPNO-YFKPBYRVSA-O
MW156.16 g/mol
LogP-1.35
Rot. Bonds3

About [(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium

[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium (PubChem CID 86580368) has the molecular formula C6H10N3O2+ and a molecular weight of 156.16 g/mol. Its IUPAC name is [(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium
PubChem CID86580368
Molecular FormulaC6H10N3O2+
Molecular Weight156.16 g/mol
Exact Mass156.08
IUPAC Name[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium
SMILES[NH3+][C@@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
InChIKeyHNDVDQJCIGZPNO-YFKPBYRVSA-O
XLogP-1.35
TPSA93.62 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-ethoxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]azanium
CID 7015307
(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;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
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;zinc;dihydrate
CID 67532812
2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride
CID 517335
CID 162305209
CID 162305209

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium?
The IUPAC name of [(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium (CID 86580368) is [(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium.
What is the SMILES notation for [(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium?
The canonical SMILES for [(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium is [NH3+][C@@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of [(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium?
The InChIKey is HNDVDQJCIGZPNO-YFKPBYRVSA-O. The full InChI is InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1.
What are the key properties of [(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium?
[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium has a molecular weight of 156.16 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium is sourced from PubChem (CID 86580368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).