2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid

C6H12N4O2 — CID 154701337

IUPAC2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid
SMILESNCCC1(CC(N)C(=O)O)N=N1
InChIInChI=1S/C6H12N4O2/c7-2-1-6(9-10-6)3-4(8)5(11)12/h4H,1-3,7-8H2,(H,11,12)
InChIKeyCQTOOIGELCPQPJ-UHFFFAOYSA-N
MW172.19 g/mol
LogP-0.70
Rot. Bonds5

About 2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid

2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid (PubChem CID 154701337) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid
PubChem CID154701337
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid
SMILESNCCC1(CC(N)C(=O)O)N=N1
InChIInChI=1S/C6H12N4O2/c7-2-1-6(9-10-6)3-4(8)5(11)12/h4H,1-3,7-8H2,(H,11,12)
InChIKeyCQTOOIGELCPQPJ-UHFFFAOYSA-N
XLogP-0.70
TPSA114.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid
CID 171037968
(2S)-2-amino-3-(3-ethynyldiazirin-3-yl)propanoic acid
CID 146587033
2,4-diaminobutanoic acid
CID 158725018
2,3-diaminopropanoic acid
CID 160927094
(2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid
CID 130320680
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-3-(1-methylcyclopropyl)propanoic acid;hydrochloride
CID 155270918
2-aminobutanoic acid;ethane
CID 90764297
CID 163362392
CID 163362392
2-amino-4-(aminomethyl)pentanedioic acid
CID 22326353
zinc 2,5-diaminopentanoic acid
CID 56838280
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid?
The IUPAC name of 2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid (CID 154701337) is 2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid is NCCC1(CC(N)C(=O)O)N=N1.
What is the InChIKey of 2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid?
The InChIKey is CQTOOIGELCPQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c7-2-1-6(9-10-6)3-4(8)5(11)12/h4H,1-3,7-8H2,(H,11,12).
What are the key properties of 2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid?
2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid has a molecular weight of 172.19 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid is sourced from PubChem (CID 154701337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).