2-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]acetic acid

C10H18N2O4 — CID 87197249

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

About 2-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]acetic acid

2-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]acetic acid (PubChem CID 87197249) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]acetic acid
PubChem CID87197249
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]acetic acid
SMILESC=CC(=O)NCCCN(CCO)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-9(14)11-4-3-5-12(6-7-13)8-10(15)16/h2,13H,1,3-8H2,(H,11,14)(H,15,16)
InChIKeyBGXUGVLDQJBYTC-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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Related Compounds

N,N'-Bis(2-hydroxyethyl)-N'-acryloyl-1,3-diaminopropane
CID 131338
N-{3-[bis(2-hydroxyethyl)amino]propyl}prop-2-enamide
CID 9942587
1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-((2-methyl-1-oxo-2-propen-1-yl)amino)-, acetate (1:1)
CID 172680
2-((3-Acrylamidopropyl)dimethylammonio)acetate
CID 88156722
Maleoylglycine
CID 100915606
Fumaryldi-glycin
CID 91619288
[3-[Dimethyl-[3-(prop-2-enoylamino)propyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
CID 18914827
Tris(hydroxymethyl)-[3-(prop-2-enoylamino)propyl]azanium
CID 19591775
N-[3-(diethylamino)-2-hydroxypropyl]prop-2-enamide
CID 20310799
1-Carboxyethyl-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 22413876
Carboxymethyl-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 22706909
(2-Methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 42601505

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]acetic acid?
The IUPAC name of 2-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]acetic acid (CID 87197249) is 2-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]acetic acid.
What is the SMILES notation for 2-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]acetic acid?
The canonical SMILES for 2-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]acetic acid is C=CC(=O)NCCCN(CCO)CC(=O)O.
What is the InChIKey of 2-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]acetic acid?
The InChIKey is BGXUGVLDQJBYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-9(14)11-4-3-5-12(6-7-13)8-10(15)16/h2,13H,1,3-8H2,(H,11,14)(H,15,16).
What are the key properties of 2-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]acetic acid?
2-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]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-[2-hydroxyethyl-[3-(prop-2-enoylamino)propyl]amino]acetic acid is sourced from PubChem (CID 87197249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).