methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate

C12H21NO4 — CID 54979906

IUPACmethyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)CCC1CCCO1
InChIInChI=1S/C12H21NO4/c1-13(8-7-12(15)16-2)11(14)6-5-10-4-3-9-17-10/h10H,3-9H2,1-2H3
InChIKeyCLAVATVFRLSORH-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds6

About methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate

methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate (PubChem CID 54979906) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
PubChem CID54979906
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)CCC1CCCO1
InChIInChI=1S/C12H21NO4/c1-13(8-7-12(15)16-2)11(14)6-5-10-4-3-9-17-10/h10H,3-9H2,1-2H3
InChIKeyCLAVATVFRLSORH-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-methoxyethyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
CID 78959559
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557
N-butyl-N-methyl-3-(oxolan-2-yl)propanamide
CID 86929613
tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate
CID 100668130
methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate
CID 103852349
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
CID 78960585
methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
CID 113237140
methyl 3-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964270
methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
CID 110731234
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate (CID 54979906) is methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate is COC(=O)CCN(C)C(=O)CCC1CCCO1.
What is the InChIKey of methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate?
The InChIKey is CLAVATVFRLSORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-13(8-7-12(15)16-2)11(14)6-5-10-4-3-9-17-10/h10H,3-9H2,1-2H3.
What are the key properties of methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate?
methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate is sourced from PubChem (CID 54979906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).