2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid

C10H18N2O4 — CID 87132512

IUPAC2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid
SMILESC=CC(=O)N(CCO)CCCNCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-9(14)12(6-7-13)5-3-4-11-8-10(15)16/h2,11,13H,1,3-8H2,(H,15,16)
InChIKeyDDXNUANIBWQUEY-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.94
Rot. Bonds9

About 2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid

2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid (PubChem CID 87132512) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid
PubChem CID87132512
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid
SMILESC=CC(=O)N(CCO)CCCNCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-9(14)12(6-7-13)5-3-4-11-8-10(15)16/h2,11,13H,1,3-8H2,(H,15,16)
InChIKeyDDXNUANIBWQUEY-UHFFFAOYSA-N
XLogP-0.94
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid?
The IUPAC name of 2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid (CID 87132512) is 2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid.
What is the SMILES notation for 2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid?
The canonical SMILES for 2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid is C=CC(=O)N(CCO)CCCNCC(=O)O.
What is the InChIKey of 2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid?
The InChIKey is DDXNUANIBWQUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-9(14)12(6-7-13)5-3-4-11-8-10(15)16/h2,11,13H,1,3-8H2,(H,15,16).
What are the key properties of 2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid?
2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-hydroxyethyl(prop-2-enoyl)amino]propylamino]acetic acid is sourced from PubChem (CID 87132512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).