3-amino-3-deuteriopropanoic acid

C3H7NO2 — CID 11829360

IUPAC3-amino-3-deuteriopropanoic acid
SMILES[2H]C(N)CC(=O)O
InChIInChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D
InChIKeyUCMIRNVEIXFBKS-VMNATFBRSA-N
MW90.10 g/mol
LogP-0.58
Rot. Bonds2

About 3-amino-3-deuteriopropanoic acid

3-amino-3-deuteriopropanoic acid (PubChem CID 11829360) has the molecular formula C3H7NO2 and a molecular weight of 90.10 g/mol. Its IUPAC name is 3-amino-3-deuteriopropanoic acid.

Molecular Properties

Compound Name3-amino-3-deuteriopropanoic acid
PubChem CID11829360
Molecular FormulaC3H7NO2
Molecular Weight90.10 g/mol
Exact Mass90.05
IUPAC Name3-amino-3-deuteriopropanoic acid
SMILES[2H]C(N)CC(=O)O
InChIInChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D
InChIKeyUCMIRNVEIXFBKS-VMNATFBRSA-N
XLogP-0.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(15N)azanyl(113C)propanoic acid
CID 11366951
6-amino-3,3,4,4,5,5,6,6-octadeuteriohexanoic acid
CID 46245160
bis(butanedioic acid);hydroxylamine
CID 174855273
CID 173009716
CID 173009716
2,2-dideuteriobutanedioic acid
CID 87143155
bis(butanedioic acid);ethane-1,2-diamine;zinc
CID 173009719
azane;bis(butanedioic acid);ethane-1,2-diamine
CID 173216605
(4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid
CID 159995067
2-aminoacetic acid;molecular hydrogen
CID 173030336
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
6,6-dideuteriooct-7-ynoic acid
CID 168934307
bis(butanedioic acid);silane
CID 173419629

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-deuteriopropanoic acid?
The IUPAC name of 3-amino-3-deuteriopropanoic acid (CID 11829360) is 3-amino-3-deuteriopropanoic acid.
What is the SMILES notation for 3-amino-3-deuteriopropanoic acid?
The canonical SMILES for 3-amino-3-deuteriopropanoic acid is [2H]C(N)CC(=O)O.
What is the InChIKey of 3-amino-3-deuteriopropanoic acid?
The InChIKey is UCMIRNVEIXFBKS-VMNATFBRSA-N. The full InChI is InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D.
What are the key properties of 3-amino-3-deuteriopropanoic acid?
3-amino-3-deuteriopropanoic acid has a molecular weight of 90.10 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-deuteriopropanoic acid is sourced from PubChem (CID 11829360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).