2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid

C13H23N3O5 — CID 66433511

IUPAC2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid
SMILESCCCNC(=O)C(C)NC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H23N3O5/c1-3-4-14-12(19)9(2)15-13(20)16-5-6-21-10(8-16)7-11(17)18/h9-10H,3-8H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)
InChIKeyUAUGJWGVGNGDFO-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.21
Rot. Bonds6

About 2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid

2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66433511) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66433511
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid
SMILESCCCNC(=O)C(C)NC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H23N3O5/c1-3-4-14-12(19)9(2)15-13(20)16-5-6-21-10(8-16)7-11(17)18/h9-10H,3-8H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)
InChIKeyUAUGJWGVGNGDFO-UHFFFAOYSA-N
XLogP-0.21
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-oxo-2-(propylamino)ethyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433095
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 104829302
2-[4-(pent-1-yn-3-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 106232126
2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436008
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66435659
2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436055
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434836

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid (CID 66433511) is 2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid is CCCNC(=O)C(C)NC(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is UAUGJWGVGNGDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-3-4-14-12(19)9(2)15-13(20)16-5-6-21-10(8-16)7-11(17)18/h9-10H,3-8H2,1-2H3,(H,14,19)(H,15,20)(H,17,18).
What are the key properties of 2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 301.34 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).