2,3-diaminopropanoic acid

C6H16N4O4 — CID 160927094

IUPAC2,3-diaminopropanoic acid
SMILESNCC(N)C(=O)O.NCC(N)C(=O)O
InChIInChI=1S/2C3H8N2O2/c2*4-1-2(5)3(6)7/h2*2H,1,4-5H2,(H,6,7)
InChIKeySSTZSPMSMHREJE-UHFFFAOYSA-N
MW208.22 g/mol
LogP-3.29
Rot. Bonds4

About 2,3-diaminopropanoic acid

2,3-diaminopropanoic acid (PubChem CID 160927094) has the molecular formula C6H16N4O4 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2,3-diaminopropanoic acid.

Molecular Properties

Compound Name2,3-diaminopropanoic acid
PubChem CID160927094
Molecular FormulaC6H16N4O4
Molecular Weight208.22 g/mol
Exact Mass208.12
IUPAC Name2,3-diaminopropanoic acid
SMILESNCC(N)C(=O)O.NCC(N)C(=O)O
InChIInChI=1S/2C3H8N2O2/c2*4-1-2(5)3(6)7/h2*2H,1,4-5H2,(H,6,7)
InChIKeySSTZSPMSMHREJE-UHFFFAOYSA-N
XLogP-3.29
TPSA178.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.22
LogP ≤ 5-3.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
2-amino-3-sulfanylpropanoic acid
CID 21459566
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
(2R)-2-amino-3-sulfanylpropanoic acid;iron
CID 87142909
CID 87623250
CID 87623250
2-amino-3-sulfanylpropanoic acid;hydrofluoride
CID 174867150
2-amino-3-sulfanylpropanoic acid;molecular oxygen
CID 141222911
2,4-diaminobutanoic acid
CID 158725018
(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
CID 46207589
2-amino-4-(aminomethyl)pentanedioic acid
CID 22326353

Frequently Asked Questions

What is the IUPAC name of 2,3-diaminopropanoic acid?
The IUPAC name of 2,3-diaminopropanoic acid (CID 160927094) is 2,3-diaminopropanoic acid.
What is the SMILES notation for 2,3-diaminopropanoic acid?
The canonical SMILES for 2,3-diaminopropanoic acid is NCC(N)C(=O)O.NCC(N)C(=O)O.
What is the InChIKey of 2,3-diaminopropanoic acid?
The InChIKey is SSTZSPMSMHREJE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8N2O2/c2*4-1-2(5)3(6)7/h2*2H,1,4-5H2,(H,6,7).
What are the key properties of 2,3-diaminopropanoic acid?
2,3-diaminopropanoic acid has a molecular weight of 208.22 g/mol, XLogP of -3.29, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminopropanoic acid is sourced from PubChem (CID 160927094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).