3-(15N)azanyl(113C)propanoic acid

C3H7NO2 — CID 11366951

IUPAC3-(15N)azanyl(113C)propanoic acid
SMILES[15NH2]CC[13C](=O)O
InChIInChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+1,4+1
InChIKeyUCMIRNVEIXFBKS-CQDYUVAPSA-N
MW91.08 g/mol
LogP-0.58
Rot. Bonds2

About 3-(15N)azanyl(113C)propanoic acid

3-(15N)azanyl(113C)propanoic acid (PubChem CID 11366951) has the molecular formula C3H7NO2 and a molecular weight of 91.08 g/mol. Its IUPAC name is 3-(15N)azanyl(113C)propanoic acid.

Molecular Properties

Compound Name3-(15N)azanyl(113C)propanoic acid
PubChem CID11366951
Molecular FormulaC3H7NO2
Molecular Weight91.08 g/mol
Exact Mass91.05
IUPAC Name3-(15N)azanyl(113C)propanoic acid
SMILES[15NH2]CC[13C](=O)O
InChIInChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+1,4+1
InChIKeyUCMIRNVEIXFBKS-CQDYUVAPSA-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 ≤ 50091.08
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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bis(3-aminopropanoic acid);pyrazine
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6-aminohexanoic acid;3-aminopropanoic acid
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bis(butanedioic acid);ethane-1,2-diamine;zinc
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CID 173009716
CID 173009716
azane;bis(butanedioic acid);ethane-1,2-diamine
CID 173216605
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
(2S)-2-aminobutanedioic acid;3-aminopropanoic acid
CID 89158281
3-aminopropanoic acid;propanoic acid;prop-1-ene
CID 88933122
bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid)
CID 159935157
4-aminobutanoic acid;dihydrochloride
CID 87111723
butanedioic acid;ethane-1,2-diamine;pentanedioic acid
CID 158203202

Frequently Asked Questions

What is the IUPAC name of 3-(15N)azanyl(113C)propanoic acid?
The IUPAC name of 3-(15N)azanyl(113C)propanoic acid (CID 11366951) is 3-(15N)azanyl(113C)propanoic acid.
What is the SMILES notation for 3-(15N)azanyl(113C)propanoic acid?
The canonical SMILES for 3-(15N)azanyl(113C)propanoic acid is [15NH2]CC[13C](=O)O.
What is the InChIKey of 3-(15N)azanyl(113C)propanoic acid?
The InChIKey is UCMIRNVEIXFBKS-CQDYUVAPSA-N. The full InChI is InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+1,4+1.
What are the key properties of 3-(15N)azanyl(113C)propanoic acid?
3-(15N)azanyl(113C)propanoic acid has a molecular weight of 91.08 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-(15N)azanyl(113C)propanoic acid is sourced from PubChem (CID 11366951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).