2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid

C14H27N3O4 — CID 106039296

IUPAC2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid
SMILESCC(C)N(C)CCCNC(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C14H27N3O4/c1-11(2)16(3)6-4-5-15-14(20)17-7-8-21-10-12(17)9-13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyYPGFPEOBWJBTDO-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.60
Rot. Bonds7

About 2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid

2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid (PubChem CID 106039296) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid
PubChem CID106039296
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid
SMILESCC(C)N(C)CCCNC(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C14H27N3O4/c1-11(2)16(3)6-4-5-15-14(20)17-7-8-21-10-12(17)9-13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyYPGFPEOBWJBTDO-UHFFFAOYSA-N
XLogP0.60
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.60
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

2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid
CID 106004541
2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid
CID 114469359
2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid
CID 113499766
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 113457970
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid
CID 106038928
N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide
CID 75443356
2-[4-(4-methylpent-1-yn-3-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 114202703
2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid
CID 106917248
2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid
CID 114120332
2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid
CID 129469870
2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61372331
2-[4-(thiolan-3-ylmethylcarbamoyl)morpholin-3-yl]acetic acid
CID 107297364

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid (CID 106039296) is 2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid is CC(C)N(C)CCCNC(=O)N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid?
The InChIKey is YPGFPEOBWJBTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-11(2)16(3)6-4-5-15-14(20)17-7-8-21-10-12(17)9-13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid?
2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 106039296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).