methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate

C9H17NO5 — CID 79345501

IUPACmethyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)OCCO
InChIInChI=1S/C9H17NO5/c1-10(9(13)15-7-6-11)5-3-4-8(12)14-2/h11H,3-7H2,1-2H3
InChIKeyLSTVULBFGUQESC-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.00
Rot. Bonds6

About methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate

methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate (PubChem CID 79345501) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate
PubChem CID79345501
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Namemethyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)OCCO
InChIInChI=1S/C9H17NO5/c1-10(9(13)15-7-6-11)5-3-4-8(12)14-2/h11H,3-7H2,1-2H3
InChIKeyLSTVULBFGUQESC-UHFFFAOYSA-N
XLogP0.00
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate
CID 106918325
methyl N-(3-hydroxypropyl)-N-methylcarbamate
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methyl 4-[3-ethoxypropanoyl(methyl)amino]butanoate
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methyl 5-[methyl(phenylmethoxycarbonyl)amino]pentanoate
CID 139381333
methyl 4-[ethylcarbamoyl(methyl)amino]butanoate
CID 60970924
methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate
CID 115588181
methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate
CID 60947887
methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate
CID 139703112
dimethyl hexanedioate;stannane
CID 173290076
methyl 4-[[4-(hydroxymethyl)benzoyl]-methylamino]butanoate
CID 55006062
methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate
CID 55028566

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate (CID 79345501) is methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate is COC(=O)CCCN(C)C(=O)OCCO.
What is the InChIKey of methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate?
The InChIKey is LSTVULBFGUQESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-10(9(13)15-7-6-11)5-3-4-8(12)14-2/h11H,3-7H2,1-2H3.
What are the key properties of methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate?
methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate has a molecular weight of 219.24 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate is sourced from PubChem (CID 79345501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).