2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid

C6H12N4O2 — CID 171037968

IUPAC2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid
SMILESNCC1(CCC(N)C(=O)O)N=N1
InChIInChI=1S/C6H12N4O2/c7-3-6(9-10-6)2-1-4(8)5(11)12/h4H,1-3,7-8H2,(H,11,12)
InChIKeyUQYHYAIQUDDSLT-UHFFFAOYSA-N
MW172.19 g/mol
LogP-0.70
Rot. Bonds5

About 2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid

2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid (PubChem CID 171037968) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid
PubChem CID171037968
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid
SMILESNCC1(CCC(N)C(=O)O)N=N1
InChIInChI=1S/C6H12N4O2/c7-3-6(9-10-6)2-1-4(8)5(11)12/h4H,1-3,7-8H2,(H,11,12)
InChIKeyUQYHYAIQUDDSLT-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

(2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid
CID 130320680
2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid
CID 154701337
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2,4-diaminobutanoic acid
CID 158725018
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
zinc 2,5-diaminopentanoic acid
CID 56838280
2-aminopentanedioic acid;hydrazine;hydrate
CID 174836274
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-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid?
The IUPAC name of 2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid (CID 171037968) is 2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid.
What is the SMILES notation for 2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid?
The canonical SMILES for 2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid is NCC1(CCC(N)C(=O)O)N=N1.
What is the InChIKey of 2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid?
The InChIKey is UQYHYAIQUDDSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c7-3-6(9-10-6)2-1-4(8)5(11)12/h4H,1-3,7-8H2,(H,11,12).
What are the key properties of 2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid?
2-amino-4-[3-(aminomethyl)diazirin-3-yl]butanoic 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-4-[3-(aminomethyl)diazirin-3-yl]butanoic acid is sourced from PubChem (CID 171037968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).