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

C11H19N3O5 — CID 83103899

IUPAC(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
SMILESCC[C@H](NC(=O)N1CCOCC1C(=O)NC)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-3-7(10(16)17)13-11(18)14-4-5-19-6-8(14)9(15)12-2/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)/t7-,8?/m0/s1
InChIKeyPCGOYHZXFKDYCH-JAMMHHFISA-N
MW273.29 g/mol
LogP-0.99
Rot. Bonds4

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

(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid (PubChem CID 83103899) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
PubChem CID83103899
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
SMILESCC[C@H](NC(=O)N1CCOCC1C(=O)NC)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-3-7(10(16)17)13-11(18)14-4-5-19-6-8(14)9(15)12-2/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)/t7-,8?/m0/s1
InChIKeyPCGOYHZXFKDYCH-JAMMHHFISA-N
XLogP-0.99
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid
CID 107146454
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 104877480
(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104546
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
3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774698
(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 83098558
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107840814
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid?
The IUPAC name of (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid (CID 83103899) is (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid is CC[C@H](NC(=O)N1CCOCC1C(=O)NC)C(=O)O.
What is the InChIKey of (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid?
The InChIKey is PCGOYHZXFKDYCH-JAMMHHFISA-N. The full InChI is InChI=1S/C11H19N3O5/c1-3-7(10(16)17)13-11(18)14-4-5-19-6-8(14)9(15)12-2/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)/t7-,8?/m0/s1.
What are the key properties of (2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid?
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid has a molecular weight of 273.29 g/mol, XLogP of -0.99, 4 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]butanoic acid is sourced from PubChem (CID 83103899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).