2-(3-aminobut-1-en-2-ylamino)acetic acid

C6H12N2O2 — CID 118414888

IUPAC2-(3-aminobut-1-en-2-ylamino)acetic acid
SMILESC=C(NCC(=O)O)C(C)N
InChIInChI=1S/C6H12N2O2/c1-4(7)5(2)8-3-6(9)10/h4,8H,2-3,7H2,1H3,(H,9,10)
InChIKeyUXIMEPMIKUCJQN-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.48
Rot. Bonds4

About 2-(3-aminobut-1-en-2-ylamino)acetic acid

2-(3-aminobut-1-en-2-ylamino)acetic acid (PubChem CID 118414888) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(3-aminobut-1-en-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-(3-aminobut-1-en-2-ylamino)acetic acid
PubChem CID118414888
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-(3-aminobut-1-en-2-ylamino)acetic acid
SMILESC=C(NCC(=O)O)C(C)N
InChIInChI=1S/C6H12N2O2/c1-4(7)5(2)8-3-6(9)10/h4,8H,2-3,7H2,1H3,(H,9,10)
InChIKeyUXIMEPMIKUCJQN-UHFFFAOYSA-N
XLogP-0.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobut-1-en-2-ylamino)acetic acid?
The IUPAC name of 2-(3-aminobut-1-en-2-ylamino)acetic acid (CID 118414888) is 2-(3-aminobut-1-en-2-ylamino)acetic acid.
What is the SMILES notation for 2-(3-aminobut-1-en-2-ylamino)acetic acid?
The canonical SMILES for 2-(3-aminobut-1-en-2-ylamino)acetic acid is C=C(NCC(=O)O)C(C)N.
What is the InChIKey of 2-(3-aminobut-1-en-2-ylamino)acetic acid?
The InChIKey is UXIMEPMIKUCJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(7)5(2)8-3-6(9)10/h4,8H,2-3,7H2,1H3,(H,9,10).
What are the key properties of 2-(3-aminobut-1-en-2-ylamino)acetic acid?
2-(3-aminobut-1-en-2-ylamino)acetic acid has a molecular weight of 144.17 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobut-1-en-2-ylamino)acetic acid is sourced from PubChem (CID 118414888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).