(2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid

C5H8N6O3 — CID 102182982

IUPAC(2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid
SMILESN[C@@H](CNC(=O)c1nn[nH]n1)C(=O)O
InChIInChI=1S/C5H8N6O3/c6-2(5(13)14)1-7-4(12)3-8-10-11-9-3/h2H,1,6H2,(H,7,12)(H,13,14)(H,8,9,10,11)/t2-/m0/s1
InChIKeyULFSZHXWLBPMTO-REOHCLBHSA-N
MW200.16 g/mol
LogP-2.66
Rot. Bonds4

About (2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid

(2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid (PubChem CID 102182982) has the molecular formula C5H8N6O3 and a molecular weight of 200.16 g/mol. Its IUPAC name is (2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid
PubChem CID102182982
Molecular FormulaC5H8N6O3
Molecular Weight200.16 g/mol
Exact Mass200.07
IUPAC Name(2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid
SMILESN[C@@H](CNC(=O)c1nn[nH]n1)C(=O)O
InChIInChI=1S/C5H8N6O3/c6-2(5(13)14)1-7-4(12)3-8-10-11-9-3/h2H,1,6H2,(H,7,12)(H,13,14)(H,8,9,10,11)/t2-/m0/s1
InChIKeyULFSZHXWLBPMTO-REOHCLBHSA-N
XLogP-2.66
TPSA146.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-2.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid (CID 102182982) is (2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid is N[C@@H](CNC(=O)c1nn[nH]n1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid?
The InChIKey is ULFSZHXWLBPMTO-REOHCLBHSA-N. The full InChI is InChI=1S/C5H8N6O3/c6-2(5(13)14)1-7-4(12)3-8-10-11-9-3/h2H,1,6H2,(H,7,12)(H,13,14)(H,8,9,10,11)/t2-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid?
(2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid has a molecular weight of 200.16 g/mol, XLogP of -2.66, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoic acid is sourced from PubChem (CID 102182982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).