6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid

C12H21N3O5 — CID 83096416

IUPAC6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid
SMILESNC(=O)C1COCCN1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C12H21N3O5/c13-11(18)9-8-20-7-6-15(9)12(19)14-5-3-1-2-4-10(16)17/h9H,1-8H2,(H2,13,18)(H,14,19)(H,16,17)
InChIKeyYACCODYDJIJBKN-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.47
Rot. Bonds7

About 6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid

6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid (PubChem CID 83096416) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid
PubChem CID83096416
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid
SMILESNC(=O)C1COCCN1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C12H21N3O5/c13-11(18)9-8-20-7-6-15(9)12(19)14-5-3-1-2-4-10(16)17/h9H,1-8H2,(H2,13,18)(H,14,19)(H,16,17)
InChIKeyYACCODYDJIJBKN-UHFFFAOYSA-N
XLogP-0.47
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.47
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

7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid
CID 83098739
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
4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
CID 114131758

Frequently Asked Questions

What is the IUPAC name of 6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid (CID 83096416) is 6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid is NC(=O)C1COCCN1C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid?
The InChIKey is YACCODYDJIJBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c13-11(18)9-8-20-7-6-15(9)12(19)14-5-3-1-2-4-10(16)17/h9H,1-8H2,(H2,13,18)(H,14,19)(H,16,17).
What are the key properties of 6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid?
6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 83096416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).