2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid

C10H19NO3 — CID 114495036

IUPAC2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(C)(O)CC
InChIInChI=1S/C10H19NO3/c1-4-6-11(7-9(12)13)8-10(3,14)5-2/h4,14H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyYSPFLZKMSKPCQU-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.72
Rot. Bonds7

About 2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid

2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid (PubChem CID 114495036) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid
PubChem CID114495036
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(C)(O)CC
InChIInChI=1S/C10H19NO3/c1-4-6-11(7-9(12)13)8-10(3,14)5-2/h4,14H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyYSPFLZKMSKPCQU-UHFFFAOYSA-N
XLogP0.72
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid
CID 114494841
1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol
CID 114496866
2-[butyl(prop-2-enyl)amino]acetic acid
CID 79277573
2-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276207
2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid
CID 63646957
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
buta-1,3-diene;2-(diethylamino)acetic acid
CID 87268914
2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276331
2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
CID 79277607
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79275630
3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride
CID 39254844
ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate
CID 78977809

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid (CID 114495036) is 2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)CC(C)(O)CC.
What is the InChIKey of 2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid?
The InChIKey is YSPFLZKMSKPCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-6-11(7-9(12)13)8-10(3,14)5-2/h4,14H,1,5-8H2,2-3H3,(H,12,13).
What are the key properties of 2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid?
2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 114495036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).