(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid

C13H23N3O5 — CID 107146454

IUPAC(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCOCC1C(=O)NC)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-3-4-5-9(12(18)19)15-13(20)16-6-7-21-8-10(16)11(17)14-2/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)/t9-,10?/m0/s1
InChIKeyCUKOYBPKECGWHF-RGURZIINSA-N
MW301.34 g/mol
LogP-0.21
Rot. Bonds6

About (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid

(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid (PubChem CID 107146454) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid
PubChem CID107146454
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCOCC1C(=O)NC)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-3-4-5-9(12(18)19)15-13(20)16-6-7-21-8-10(16)11(17)14-2/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)/t9-,10?/m0/s1
InChIKeyCUKOYBPKECGWHF-RGURZIINSA-N
XLogP-0.21
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103899
(2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107145793
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752
(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83104584
(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104546
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566263
(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 83098558
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]pent-4-enoic acid
CID 83104278
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
2-(1,4-oxazepane-4-carbonylamino)hexanoic acid
CID 62967980
3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774698

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid (CID 107146454) is (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid is CCCC[C@H](NC(=O)N1CCOCC1C(=O)NC)C(=O)O.
What is the InChIKey of (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid?
The InChIKey is CUKOYBPKECGWHF-RGURZIINSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-3-4-5-9(12(18)19)15-13(20)16-6-7-21-8-10(16)11(17)14-2/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)/t9-,10?/m0/s1.
What are the key properties of (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid?
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid has a molecular weight of 301.34 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 107146454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).