3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid

C11H21N3O5 — CID 113405671

IUPAC3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
SMILESCOCC(NC(=O)NCC(=O)NCC(C)C)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-7(2)4-12-9(15)5-13-11(18)14-8(6-19-3)10(16)17/h7-8H,4-6H2,1-3H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyUCXRAQJTOKROQD-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.84
Rot. Bonds8

About 3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid

3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid (PubChem CID 113405671) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
PubChem CID113405671
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
SMILESCOCC(NC(=O)NCC(=O)NCC(C)C)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-7(2)4-12-9(15)5-13-11(18)14-8(6-19-3)10(16)17/h7-8H,4-6H2,1-3H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyUCXRAQJTOKROQD-UHFFFAOYSA-N
XLogP-0.84
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405687
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
(2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 89002715
(2S)-3-hydroxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405676
3-methoxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 81084281
3-methoxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 81084969
3-methoxy-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 81081570
2-(butan-2-ylcarbamoylamino)-3-methoxypropanoic acid
CID 81084433
3-methoxy-2-(pentylcarbamoylamino)propanoic acid
CID 81086094
3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 113410923
2-(3-aminopropylcarbamoylamino)-3-methoxypropanoic acid
CID 81085801
3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid
CID 81085411

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid (CID 113405671) is 3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid is COCC(NC(=O)NCC(=O)NCC(C)C)C(=O)O.
What is the InChIKey of 3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
The InChIKey is UCXRAQJTOKROQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-7(2)4-12-9(15)5-13-11(18)14-8(6-19-3)10(16)17/h7-8H,4-6H2,1-3H3,(H,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid has a molecular weight of 275.31 g/mol, XLogP of -0.84, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 113405671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).