(2S)-3-amino-3-deuterio-2-hydroxypropanoic acid

C3H7NO3 — CID 171370857

IUPAC(2S)-3-amino-3-deuterio-2-hydroxypropanoic acid
SMILES[2H]C(N)[C@H](O)C(=O)O
InChIInChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1D/t1?,2-
InChIKeyBMYNFMYTOJXKLE-MCRQVMFPSA-N
MW106.10 g/mol
LogP-1.61
Rot. Bonds2

About (2S)-3-amino-3-deuterio-2-hydroxypropanoic acid

(2S)-3-amino-3-deuterio-2-hydroxypropanoic acid (PubChem CID 171370857) has the molecular formula C3H7NO3 and a molecular weight of 106.10 g/mol. Its IUPAC name is (2S)-3-amino-3-deuterio-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-amino-3-deuterio-2-hydroxypropanoic acid
PubChem CID171370857
Molecular FormulaC3H7NO3
Molecular Weight106.10 g/mol
Exact Mass106.05
IUPAC Name(2S)-3-amino-3-deuterio-2-hydroxypropanoic acid
SMILES[2H]C(N)[C@H](O)C(=O)O
InChIInChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1D/t1?,2-
InChIKeyBMYNFMYTOJXKLE-MCRQVMFPSA-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 ≤ 500106.10
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-amino-2-hydroxypropanoic acid;hydrochloride
CID 87417559
3-amino-2-hydroxypropanoic acid;oxalic acid
CID 162306436
acetic acid;3-amino-2-hydroxypropanoic acid
CID 172822941
2-aminoacetic acid;2-hydroxybutanedioic acid
CID 87750134
(2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid
CID 139667914
6-amino-2-hydroxyhexanoic acid
CID 517029
2,3-dihydroxypropanoic acid
CID 175601105
(2R)-7-amino-2-hydroxyheptanoic acid
CID 144842569
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640
alumane;2,3-dihydroxypropanoic acid
CID 173322444
CID 131873477
CID 131873477
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-3-deuterio-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-amino-3-deuterio-2-hydroxypropanoic acid (CID 171370857) is (2S)-3-amino-3-deuterio-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-amino-3-deuterio-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-amino-3-deuterio-2-hydroxypropanoic acid is [2H]C(N)[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-amino-3-deuterio-2-hydroxypropanoic acid?
The InChIKey is BMYNFMYTOJXKLE-MCRQVMFPSA-N. The full InChI is InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1D/t1?,2-.
What are the key properties of (2S)-3-amino-3-deuterio-2-hydroxypropanoic acid?
(2S)-3-amino-3-deuterio-2-hydroxypropanoic acid has a molecular weight of 106.10 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)-3-amino-3-deuterio-2-hydroxypropanoic acid is sourced from PubChem (CID 171370857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).