2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid

C7H13N3O3 — CID 90385984

IUPAC2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid
SMILESC=C(CNC(=O)CN)NCC(=O)O
InChIInChI=1S/C7H13N3O3/c1-5(9-4-7(12)13)3-10-6(11)2-8/h9H,1-4,8H2,(H,10,11)(H,12,13)
InChIKeyQGGGQQNVHWRELL-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.75
Rot. Bonds6

About 2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid

2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid (PubChem CID 90385984) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid
PubChem CID90385984
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid
SMILESC=C(CNC(=O)CN)NCC(=O)O
InChIInChI=1S/C7H13N3O3/c1-5(9-4-7(12)13)3-10-6(11)2-8/h9H,1-4,8H2,(H,10,11)(H,12,13)
InChIKeyQGGGQQNVHWRELL-UHFFFAOYSA-N
XLogP-1.75
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid?
The IUPAC name of 2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid (CID 90385984) is 2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid.
What is the SMILES notation for 2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid?
The canonical SMILES for 2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid is C=C(CNC(=O)CN)NCC(=O)O.
What is the InChIKey of 2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid?
The InChIKey is QGGGQQNVHWRELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-5(9-4-7(12)13)3-10-6(11)2-8/h9H,1-4,8H2,(H,10,11)(H,12,13).
What are the key properties of 2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid?
2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid has a molecular weight of 187.20 g/mol, XLogP of -1.75, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]acetic acid is sourced from PubChem (CID 90385984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).