4-amino-3-(aminomethyl)but-3-enoic acid

C5H10N2O2 — CID 173281825

IUPAC4-amino-3-(aminomethyl)but-3-enoic acid
SMILESNC=C(CN)CC(=O)O
InChIInChI=1S/C5H10N2O2/c6-2-4(3-7)1-5(8)9/h2H,1,3,6-7H2,(H,8,9)
InChIKeyXOEFAYYGGVEWHV-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.74
Rot. Bonds3

About 4-amino-3-(aminomethyl)but-3-enoic acid

4-amino-3-(aminomethyl)but-3-enoic acid (PubChem CID 173281825) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 4-amino-3-(aminomethyl)but-3-enoic acid.

Molecular Properties

Compound Name4-amino-3-(aminomethyl)but-3-enoic acid
PubChem CID173281825
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name4-amino-3-(aminomethyl)but-3-enoic acid
SMILESNC=C(CN)CC(=O)O
InChIInChI=1S/C5H10N2O2/c6-2-4(3-7)1-5(8)9/h2H,1,3,6-7H2,(H,8,9)
InChIKeyXOEFAYYGGVEWHV-UHFFFAOYSA-N
XLogP-0.74
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z)-3-(aminomethylidene)-5-methylhexanoic acid
CID 89122031
bis(2-aminoacetic acid);copper
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2-aminoacetic acid;cadmium
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(2-aminoacetic acid);carbonic acid
CID 173312624
3-amino-3-oxopropanoic acid;sulfane
CID 175305648
2-aminoacetic acid;iron;nickel
CID 175589238
hydroxylamine;propanedioic acid;vanadium
CID 174908586
2-aminoacetic acid;barium(2+);hydride
CID 173122001
sodium;2-aminoacetic acid;bromide
CID 174820906
2-aminoacetic acid;molecular hydrogen
CID 173030336
2-aminoacetic acid;oxocopper
CID 158791680
tetraazanium;zinc;bis(2-aminoacetic acid)
CID 72715319

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(aminomethyl)but-3-enoic acid?
The IUPAC name of 4-amino-3-(aminomethyl)but-3-enoic acid (CID 173281825) is 4-amino-3-(aminomethyl)but-3-enoic acid.
What is the SMILES notation for 4-amino-3-(aminomethyl)but-3-enoic acid?
The canonical SMILES for 4-amino-3-(aminomethyl)but-3-enoic acid is NC=C(CN)CC(=O)O.
What is the InChIKey of 4-amino-3-(aminomethyl)but-3-enoic acid?
The InChIKey is XOEFAYYGGVEWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c6-2-4(3-7)1-5(8)9/h2H,1,3,6-7H2,(H,8,9).
What are the key properties of 4-amino-3-(aminomethyl)but-3-enoic acid?
4-amino-3-(aminomethyl)but-3-enoic acid has a molecular weight of 130.15 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(aminomethyl)but-3-enoic acid is sourced from PubChem (CID 173281825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).