3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid

C12H20N2O6 — CID 104774758

IUPAC3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)N1CCOCC1C(=O)OC
InChIInChI=1S/C12H20N2O6/c1-3-8(6-10(15)16)13-12(18)14-4-5-20-7-9(14)11(17)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,15,16)
InChIKeyPGDTZTLGDWZMIF-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.18
Rot. Bonds5

About 3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid

3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid (PubChem CID 104774758) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
PubChem CID104774758
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)N1CCOCC1C(=O)OC
InChIInChI=1S/C12H20N2O6/c1-3-8(6-10(15)16)13-12(18)14-4-5-20-7-9(14)11(17)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,15,16)
InChIKeyPGDTZTLGDWZMIF-UHFFFAOYSA-N
XLogP-0.18
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774823
3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774698
3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 113451757
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate
CID 104774828
2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 104774718
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103899
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid (CID 104774758) is 3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid is CCC(CC(=O)O)NC(=O)N1CCOCC1C(=O)OC.
What is the InChIKey of 3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid?
The InChIKey is PGDTZTLGDWZMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-3-8(6-10(15)16)13-12(18)14-4-5-20-7-9(14)11(17)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,15,16).
What are the key properties of 3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid?
3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid has a molecular weight of 288.30 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 104774758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).