4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid

C12H23N3O5 — CID 62473070

IUPAC4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid
SMILESCCCNC(=O)CCNC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-3-6-13-10(16)4-7-14-12(19)15-9(11(17)18)5-8-20-2/h9H,3-8H2,1-2H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyZXIKIYPPTFHKIN-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.31
Rot. Bonds10

About 4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid

4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid (PubChem CID 62473070) has the molecular formula C12H23N3O5 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid
PubChem CID62473070
Molecular FormulaC12H23N3O5
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid
SMILESCCCNC(=O)CCNC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-3-6-13-10(16)4-7-14-12(19)15-9(11(17)18)5-8-20-2/h9H,3-8H2,1-2H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyZXIKIYPPTFHKIN-UHFFFAOYSA-N
XLogP-0.31
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid with MolForge

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Related Compounds

2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
(2R)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828859
(2S)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828861
2-(5-methoxypentylcarbamoylamino)pentanoic acid
CID 113363777
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methoxybutanoic acid
CID 62479125
4-methoxy-2-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 55076531
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107830441
4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004415
3-methoxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 81084969
2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid
CID 106341273

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid (CID 62473070) is 4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid is CCCNC(=O)CCNC(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid?
The InChIKey is ZXIKIYPPTFHKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5/c1-3-6-13-10(16)4-7-14-12(19)15-9(11(17)18)5-8-20-2/h9H,3-8H2,1-2H3,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid?
4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid has a molecular weight of 289.33 g/mol, XLogP of -0.31, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 62473070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).