7-(morpholin-4-ylcarbamoylamino)heptanoic acid

C12H23N3O4 — CID 83020507

IUPAC7-(morpholin-4-ylcarbamoylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)NN1CCOCC1
InChIInChI=1S/C12H23N3O4/c16-11(17)5-3-1-2-4-6-13-12(18)14-15-7-9-19-10-8-15/h1-10H2,(H,16,17)(H2,13,14,18)
InChIKeyKCPUUDIVLHZMHU-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.57
Rot. Bonds8

About 7-(morpholin-4-ylcarbamoylamino)heptanoic acid

7-(morpholin-4-ylcarbamoylamino)heptanoic acid (PubChem CID 83020507) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 7-(morpholin-4-ylcarbamoylamino)heptanoic acid.

Molecular Properties

Compound Name7-(morpholin-4-ylcarbamoylamino)heptanoic acid
PubChem CID83020507
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name7-(morpholin-4-ylcarbamoylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)NN1CCOCC1
InChIInChI=1S/C12H23N3O4/c16-11(17)5-3-1-2-4-6-13-12(18)14-15-7-9-19-10-8-15/h1-10H2,(H,16,17)(H2,13,14,18)
InChIKeyKCPUUDIVLHZMHU-UHFFFAOYSA-N
XLogP0.57
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288
5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83019684
7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid
CID 61427989
7-(morpholin-4-ylsulfonylamino)heptanoic acid
CID 28784453
7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid
CID 83098739
6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid
CID 83096416
7-(thiomorpholine-4-carbonylamino)heptanoic acid
CID 61200253
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
5-(2-morpholin-4-ylethylamino)pentanoic acid
CID 103235757
7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
CID 115294507
5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid
CID 114115295
1-benzyl-3-morpholin-4-ylurea
CID 107653208

Frequently Asked Questions

What is the IUPAC name of 7-(morpholin-4-ylcarbamoylamino)heptanoic acid?
The IUPAC name of 7-(morpholin-4-ylcarbamoylamino)heptanoic acid (CID 83020507) is 7-(morpholin-4-ylcarbamoylamino)heptanoic acid.
What is the SMILES notation for 7-(morpholin-4-ylcarbamoylamino)heptanoic acid?
The canonical SMILES for 7-(morpholin-4-ylcarbamoylamino)heptanoic acid is O=C(O)CCCCCCNC(=O)NN1CCOCC1.
What is the InChIKey of 7-(morpholin-4-ylcarbamoylamino)heptanoic acid?
The InChIKey is KCPUUDIVLHZMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c16-11(17)5-3-1-2-4-6-13-12(18)14-15-7-9-19-10-8-15/h1-10H2,(H,16,17)(H2,13,14,18).
What are the key properties of 7-(morpholin-4-ylcarbamoylamino)heptanoic acid?
7-(morpholin-4-ylcarbamoylamino)heptanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholin-4-ylcarbamoylamino)heptanoic acid is sourced from PubChem (CID 83020507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).