4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid

C13H25N3O4 — CID 106038928

IUPAC4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid
SMILESCC(C)N(C)CCCNC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H25N3O4/c1-10(2)15(3)6-4-5-14-13(19)16-7-8-20-11(9-16)12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyZBSDPDVJRMHTLO-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.21
Rot. Bonds6

About 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid

4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid (PubChem CID 106038928) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid
PubChem CID106038928
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid
SMILESCC(C)N(C)CCCNC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H25N3O4/c1-10(2)15(3)6-4-5-14-13(19)16-7-8-20-11(9-16)12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyZBSDPDVJRMHTLO-UHFFFAOYSA-N
XLogP0.21
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid
CID 106039371
4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
CID 102907152
4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid
CID 62636376
2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216
4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid
CID 81061396
(2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide
CID 94120610
2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid
CID 106039296
(2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide
CID 126452811
4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid
CID 122022926
4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid
CID 139013682
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid
CID 107419874

Frequently Asked Questions

What is the IUPAC name of 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid (CID 106038928) is 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid is CC(C)N(C)CCCNC(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid?
The InChIKey is ZBSDPDVJRMHTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-10(2)15(3)6-4-5-14-13(19)16-7-8-20-11(9-16)12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid?
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 106038928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).