(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid

C3H7NO3 — CID 71309922

IUPAC(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
SMILESN[13C@@H]([13CH2]O)[13C](=O)O
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1+1,2+1,3+1
InChIKeyMTCFGRXMJLQNBG-GCCOVPGMSA-N
MW108.07 g/mol
LogP-1.61
Rot. Bonds2

About (2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid

(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid (PubChem CID 71309922) has the molecular formula C3H7NO3 and a molecular weight of 108.07 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
PubChem CID71309922
Molecular FormulaC3H7NO3
Molecular Weight108.07 g/mol
Exact Mass108.05
IUPAC Name(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
SMILESN[13C@@H]([13CH2]O)[13C](=O)O
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1+1,2+1,3+1
InChIKeyMTCFGRXMJLQNBG-GCCOVPGMSA-N
XLogP-1.61
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.07
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 157089134
CID 157089134
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87207256
(2S)-2-amino-3-hydroxypropanoic acid;isocyanic acid
CID 87840009
trisodium;tris((2S)-2-amino-3-hydroxypropanoic acid);borate
CID 173145098
(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 162130490
2-amino-3-hydroxypropanoic acid;aminophosphonic acid
CID 118456390
(2S)-2-amino-3-hydroxypropanoic acid;nitric acid
CID 172852587
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87148112
2-amino-3-hydroxypropanoic acid;azane;nitric acid
CID 173259395

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid?
The IUPAC name of (2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid (CID 71309922) is (2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid is N[13C@@H]([13CH2]O)[13C](=O)O.
What is the InChIKey of (2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid?
The InChIKey is MTCFGRXMJLQNBG-GCCOVPGMSA-N. The full InChI is InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1+1,2+1,3+1.
What are the key properties of (2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid?
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid has a molecular weight of 108.07 g/mol, XLogP of -1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid is sourced from PubChem (CID 71309922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).