(2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid

C5H7N3O3 — CID 69085680

IUPAC(2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid
SMILESN[C@@H](Cc1cnno1)C(=O)O
InChIInChI=1S/C5H7N3O3/c6-4(5(9)10)1-3-2-7-8-11-3/h2,4H,1,6H2,(H,9,10)/t4-/m0/s1
InChIKeyYCCNCPQGKLWRMA-BYPYZUCNSA-N
MW157.13 g/mol
LogP-0.98
Rot. Bonds3

About (2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid

(2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid (PubChem CID 69085680) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is (2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid
PubChem CID69085680
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name(2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid
SMILESN[C@@H](Cc1cnno1)C(=O)O
InChIInChI=1S/C5H7N3O3/c6-4(5(9)10)1-3-2-7-8-11-3/h2,4H,1,6H2,(H,9,10)/t4-/m0/s1
InChIKeyYCCNCPQGKLWRMA-BYPYZUCNSA-N
XLogP-0.98
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-(1,2-oxazol-5-yl)propanoic acid
CID 93495290
2-amino-3-(1,2,4-triazin-6-yl)propanoic acid
CID 83827024
(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-(5-amino-3-pyridinyl)propanoic acid
CID 55283262
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
CID 178184520
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499
(2S)-2-amino-3-isoquinolin-4-ylpropanoic acid
CID 103693021

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid (CID 69085680) is (2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid is N[C@@H](Cc1cnno1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid?
The InChIKey is YCCNCPQGKLWRMA-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7N3O3/c6-4(5(9)10)1-3-2-7-8-11-3/h2,4H,1,6H2,(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid?
(2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid has a molecular weight of 157.13 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid is sourced from PubChem (CID 69085680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).