2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid

C13H23N3O5 — CID 83104560

IUPAC2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
SMILESCCCNC(=O)C1COCCN1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-4-5-14-10(17)9-8-21-7-6-16(9)12(20)15-13(2,3)11(18)19/h9H,4-8H2,1-3H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyDIKACYIUOPFCNL-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.21
Rot. Bonds5

About 2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid

2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid (PubChem CID 83104560) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
PubChem CID83104560
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
SMILESCCCNC(=O)C1COCCN1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-4-5-14-10(17)9-8-21-7-6-16(9)12(20)15-13(2,3)11(18)19/h9H,4-8H2,1-3H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyDIKACYIUOPFCNL-UHFFFAOYSA-N
XLogP-0.21
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104546
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
4-[2-(cyanomethylamino)-2-oxoacetyl]-N-propylmorpholine-3-carboxamide
CID 83097670
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811
4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide
CID 83097059
4-(2-bromo-3-methylbutanoyl)-N-propylmorpholine-3-carboxamide
CID 83106243
4-ethylsulfonyl-N-propylmorpholine-3-carboxamide
CID 83105676
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid
CID 83106592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid (CID 83104560) is 2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid is CCCNC(=O)C1COCCN1C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
The InChIKey is DIKACYIUOPFCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-4-5-14-10(17)9-8-21-7-6-16(9)12(20)15-13(2,3)11(18)19/h9H,4-8H2,1-3H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid has a molecular weight of 301.34 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 83104560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).