(2S)-2-amino-3-hydroxypropanoic acid;nitric acid

C3H8N2O6 — CID 172852587

IUPAC(2S)-2-amino-3-hydroxypropanoic acid;nitric acid
SMILESN[C@@H](CO)C(=O)O.O=[N+]([O-])O
InChIInChI=1S/C3H7NO3.HNO3/c4-2(1-5)3(6)7;2-1(3)4/h2,5H,1,4H2,(H,6,7);(H,2,3,4)/t2-;/m0./s1
InChIKeyYGOQMWJRGBEUCW-DKWTVANSSA-N
MW168.10 g/mol
LogP-1.96
Rot. Bonds2

About (2S)-2-amino-3-hydroxypropanoic acid;nitric acid

(2S)-2-amino-3-hydroxypropanoic acid;nitric acid (PubChem CID 172852587) has the molecular formula C3H8N2O6 and a molecular weight of 168.10 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;nitric acid.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoic acid;nitric acid
PubChem CID172852587
Molecular FormulaC3H8N2O6
Molecular Weight168.10 g/mol
Exact Mass168.04
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid;nitric acid
SMILESN[C@@H](CO)C(=O)O.O=[N+]([O-])O
InChIInChI=1S/C3H7NO3.HNO3/c4-2(1-5)3(6)7;2-1(3)4/h2,5H,1,4H2,(H,6,7);(H,2,3,4)/t2-;/m0./s1
InChIKeyYGOQMWJRGBEUCW-DKWTVANSSA-N
XLogP-1.96
TPSA146.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.10
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-hydroxypropanoic acid;azane;nitric acid
CID 173259395
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
CID 157089134
CID 157089134
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
trisodium;tris((2S)-2-amino-3-hydroxypropanoic acid);borate
CID 173145098
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
potassium;2-amino-3-hydroxypropanoic acid;2-methylpropan-2-olate
CID 174969081
(2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid)
CID 86628847
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87207256
(2S)-2-amino-3-hydroxypropanoic acid;isocyanic acid
CID 87840009
(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 162130490

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;nitric acid?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;nitric acid (CID 172852587) is (2S)-2-amino-3-hydroxypropanoic acid;nitric acid.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;nitric acid?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;nitric acid is N[C@@H](CO)C(=O)O.O=[N+]([O-])O.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;nitric acid?
The InChIKey is YGOQMWJRGBEUCW-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7NO3.HNO3/c4-2(1-5)3(6)7;2-1(3)4/h2,5H,1,4H2,(H,6,7);(H,2,3,4)/t2-;/m0./s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;nitric acid?
(2S)-2-amino-3-hydroxypropanoic acid;nitric acid has a molecular weight of 168.10 g/mol, XLogP of -1.96, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanoic acid;nitric acid is sourced from PubChem (CID 172852587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).