2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid

C10H20N2O3 — CID 87316681

IUPAC2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid
SMILESC=CCNN(CCO)C(CCC)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-5-9(10(14)15)12(7-8-13)11-6-4-2/h4,9,11,13H,2-3,5-8H2,1H3,(H,14,15)
InChIKeyARSRDMNYRGXEAZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.22
Rot. Bonds9

About 2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid

2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid (PubChem CID 87316681) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid
PubChem CID87316681
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid
SMILESC=CCNN(CCO)C(CCC)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-5-9(10(14)15)12(7-8-13)11-6-4-2/h4,9,11,13H,2-3,5-8H2,1H3,(H,14,15)
InChIKeyARSRDMNYRGXEAZ-UHFFFAOYSA-N
XLogP0.22
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid
CID 107480763
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
(2S)-4-hydroxy-2-[hydroxy(propyl)amino]butanoic acid
CID 150344667
1-(prop-2-enylamino)butan-1-ol;hydrochloride
CID 174837372
2-(didecylamino)pentanoic acid
CID 101314079
ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
CID 83040661
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid
CID 82329130
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566302
4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid
CID 88520661
1-ethyl-1-methyl-3-prop-2-enylurea
CID 115603850
2-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 60981042

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid?
The IUPAC name of 2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid (CID 87316681) is 2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid.
What is the SMILES notation for 2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid?
The canonical SMILES for 2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid is C=CCNN(CCO)C(CCC)C(=O)O.
What is the InChIKey of 2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid?
The InChIKey is ARSRDMNYRGXEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-5-9(10(14)15)12(7-8-13)11-6-4-2/h4,9,11,13H,2-3,5-8H2,1H3,(H,14,15).
What are the key properties of 2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid?
2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.22, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid is sourced from PubChem (CID 87316681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).