3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate

C10H17NO4 — CID 87094013

IUPAC3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate
SMILESC=C(C)C(=O)NCCCOC(=O)C(C)O
InChIInChI=1S/C10H17NO4/c1-7(2)9(13)11-5-4-6-15-10(14)8(3)12/h8,12H,1,4-6H2,2-3H3,(H,11,13)
InChIKeyOZCZFSSYYFUXCF-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.01
Rot. Bonds6

About 3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate

3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate (PubChem CID 87094013) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate.

Molecular Properties

Compound Name3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate
PubChem CID87094013
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate
SMILESC=C(C)C(=O)NCCCOC(=O)C(C)O
InChIInChI=1S/C10H17NO4/c1-7(2)9(13)11-5-4-6-15-10(14)8(3)12/h8,12H,1,4-6H2,2-3H3,(H,11,13)
InChIKeyOZCZFSSYYFUXCF-UHFFFAOYSA-N
XLogP-0.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
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

2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87093893
4-(2-methylprop-2-enoylamino)butyl 2-methylpropanoate
CID 59532975
4-(2-methylprop-2-enoylamino)butyl acetate
CID 87413342
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
3-(2-methylprop-2-enoylamino)propyl 3-oxoheptanoate
CID 87558294
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
CID 143745168
2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide
CID 118147374
N-(3-bromopropyl)-2-methylprop-2-enamide
CID 86134938

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate?
The IUPAC name of 3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate (CID 87094013) is 3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate.
What is the SMILES notation for 3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate?
The canonical SMILES for 3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate is C=C(C)C(=O)NCCCOC(=O)C(C)O.
What is the InChIKey of 3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate?
The InChIKey is OZCZFSSYYFUXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(2)9(13)11-5-4-6-15-10(14)8(3)12/h8,12H,1,4-6H2,2-3H3,(H,11,13).
What are the key properties of 3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate?
3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate has a molecular weight of 215.25 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate is sourced from PubChem (CID 87094013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).