4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid

C12H22N2O5 — CID 62474156

IUPAC4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
SMILESCOCCC(NC(=O)NCCC1CCCO1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-18-8-5-10(11(15)16)14-12(17)13-6-4-9-3-2-7-19-9/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyAXFPJROCRBWDQV-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.34
Rot. Bonds8

About 4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid

4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid (PubChem CID 62474156) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
PubChem CID62474156
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
SMILESCOCCC(NC(=O)NCCC1CCCO1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-18-8-5-10(11(15)16)14-12(17)13-6-4-9-3-2-7-19-9/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyAXFPJROCRBWDQV-UHFFFAOYSA-N
XLogP0.34
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid
CID 107827192
(2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid
CID 107827194
(2S)-2-[2-(oxan-2-yl)ethylcarbamoylamino]butanoic acid
CID 114135764
(2S)-4-amino-4-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
CID 63716998
2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 63833349
2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid
CID 106110007
2-amino-3-methoxy-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 81089453
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid
CID 106005297
2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191777
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid
CID 81076491

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of 4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid (CID 62474156) is 4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid is COCCC(NC(=O)NCCC1CCCO1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid?
The InChIKey is AXFPJROCRBWDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-18-8-5-10(11(15)16)14-12(17)13-6-4-9-3-2-7-19-9/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid?
4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 62474156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).