7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid

C13H23N3O5 — CID 83098739

IUPAC7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid
SMILESNC(=O)C1COCCN1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C13H23N3O5/c14-12(19)10-9-21-8-7-16(10)13(20)15-6-4-2-1-3-5-11(17)18/h10H,1-9H2,(H2,14,19)(H,15,20)(H,17,18)
InChIKeyCBKCHVKCQNQNJT-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.08
Rot. Bonds8

About 7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid

7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid (PubChem CID 83098739) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid
PubChem CID83098739
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid
SMILESNC(=O)C1COCCN1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C13H23N3O5/c14-12(19)10-9-21-8-7-16(10)13(20)15-6-4-2-1-3-5-11(17)18/h10H,1-9H2,(H2,14,19)(H,15,20)(H,17,18)
InChIKeyCBKCHVKCQNQNJT-UHFFFAOYSA-N
XLogP-0.08
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.08
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-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid
CID 83096416
3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 83095827
(E)-4-[(3-carbamoylmorpholine-4-carbonyl)amino]but-2-enoic acid
CID 112746698
(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 83098558
3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61209883
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 83098732
7-(morpholin-4-ylcarbamoylamino)heptanoic acid
CID 83020507
6-[3-(ethylcarbamoyl)morpholin-4-yl]hexanoic acid
CID 83100363
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281
7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid
CID 61427989

Frequently Asked Questions

What is the IUPAC name of 7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid (CID 83098739) is 7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid is NC(=O)C1COCCN1C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid?
The InChIKey is CBKCHVKCQNQNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c14-12(19)10-9-21-8-7-16(10)13(20)15-6-4-2-1-3-5-11(17)18/h10H,1-9H2,(H2,14,19)(H,15,20)(H,17,18).
What are the key properties of 7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid?
7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid has a molecular weight of 301.34 g/mol, XLogP of -0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 83098739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).