methyl 3-[formyl(2-methylpropyl)amino]propanoate

C9H17NO3 — CID 64992915

IUPACmethyl 3-[formyl(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(C=O)CC(C)C
InChIInChI=1S/C9H17NO3/c1-8(2)6-10(7-11)5-4-9(12)13-3/h7-8H,4-6H2,1-3H3
InChIKeyXEIBNFMJIHNNHB-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.66
Rot. Bonds6

About methyl 3-[formyl(2-methylpropyl)amino]propanoate

methyl 3-[formyl(2-methylpropyl)amino]propanoate (PubChem CID 64992915) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 3-[formyl(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[formyl(2-methylpropyl)amino]propanoate
PubChem CID64992915
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 3-[formyl(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(C=O)CC(C)C
InChIInChI=1S/C9H17NO3/c1-8(2)6-10(7-11)5-4-9(12)13-3/h7-8H,4-6H2,1-3H3
InChIKeyXEIBNFMJIHNNHB-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62010902
methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate
CID 159622507
methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate
CID 79012450
methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate
CID 79203299
methyl 3-[(2-chloro-2-fluoroacetyl)-(2-methylpropyl)amino]propanoate
CID 166334711
methyl 3-[ethenyl(formyl)amino]propanoate
CID 10964771
methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate
CID 55010482
methyl 3-[methyl(3-methylbutanoyl)amino]propanoate
CID 61028943
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[2-methylpropyl(2,2,3,3-tetrafluoropropanoyl)amino]propanoate
CID 103733048
methyl 3-[2-acetyloxypropyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 175721760
N-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide
CID 10608178

Frequently Asked Questions

What is the IUPAC name of methyl 3-[formyl(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[formyl(2-methylpropyl)amino]propanoate (CID 64992915) is methyl 3-[formyl(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[formyl(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[formyl(2-methylpropyl)amino]propanoate is COC(=O)CCN(C=O)CC(C)C.
What is the InChIKey of methyl 3-[formyl(2-methylpropyl)amino]propanoate?
The InChIKey is XEIBNFMJIHNNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(2)6-10(7-11)5-4-9(12)13-3/h7-8H,4-6H2,1-3H3.
What are the key properties of methyl 3-[formyl(2-methylpropyl)amino]propanoate?
methyl 3-[formyl(2-methylpropyl)amino]propanoate has a molecular weight of 187.24 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[formyl(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 64992915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).