2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid

C10H19NO3 — CID 106190806

IUPAC2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid
SMILESC=C(CNC(C)(C)C(C)(C)O)C(=O)O
InChIInChI=1S/C10H19NO3/c1-7(8(12)13)6-11-9(2,3)10(4,5)14/h11,14H,1,6H2,2-5H3,(H,12,13)
InChIKeyGJPUYNAPJXNLST-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.77
Rot. Bonds5

About 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid

2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid (PubChem CID 106190806) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid
PubChem CID106190806
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid
SMILESC=C(CNC(C)(C)C(C)(C)O)C(=O)O
InChIInChI=1S/C10H19NO3/c1-7(8(12)13)6-11-9(2,3)10(4,5)14/h11,14H,1,6H2,2-5H3,(H,12,13)
InChIKeyGJPUYNAPJXNLST-UHFFFAOYSA-N
XLogP0.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 106190058
2-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]prop-2-enoic acid
CID 107853969
2-[(2,2-difluoropropylamino)methyl]prop-2-enoic acid
CID 163461413
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-propan-2-ylacetamide
CID 103911925
2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103260235
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 113350260
(E)-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]but-2-enoic acid
CID 106190796
4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid
CID 89306235
2-[[2-(3-fluorophenyl)propan-2-ylamino]methyl]prop-2-enoic acid
CID 166356641
N-cyclopentyl-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 113350261
2-[(3-ethylpentan-2-ylamino)methyl]prop-2-enoic acid
CID 103250756
N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]ethyl]acetamide
CID 103993631

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid (CID 106190806) is 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid is C=C(CNC(C)(C)C(C)(C)O)C(=O)O.
What is the InChIKey of 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid?
The InChIKey is GJPUYNAPJXNLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(8(12)13)6-11-9(2,3)10(4,5)14/h11,14H,1,6H2,2-5H3,(H,12,13).
What are the key properties of 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid?
2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]prop-2-enoic acid is sourced from PubChem (CID 106190806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).