(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid

C13H23N3O5 — CID 83104584

IUPAC(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
SMILESCC[C@@H](NC(=O)N1CCOCC1C(=O)NC(C)C)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-4-9(12(18)19)15-13(20)16-5-6-21-7-10(16)11(17)14-8(2)3/h8-10H,4-7H2,1-3H3,(H,14,17)(H,15,20)(H,18,19)/t9-,10?/m1/s1
InChIKeyHZEBJYURHMORHH-YHMJZVADSA-N
MW301.34 g/mol
LogP-0.22
Rot. Bonds5

About (2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid

(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid (PubChem CID 83104584) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
PubChem CID83104584
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
SMILESCC[C@@H](NC(=O)N1CCOCC1C(=O)NC(C)C)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-4-9(12(18)19)15-13(20)16-5-6-21-7-10(16)11(17)14-8(2)3/h8-10H,4-7H2,1-3H3,(H,14,17)(H,15,20)(H,18,19)/t9-,10?/m1/s1
InChIKeyHZEBJYURHMORHH-YHMJZVADSA-N
XLogP-0.22
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103899
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
(2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 107840822
(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
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid
CID 107146454
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]pent-4-enoic acid
CID 83104278
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096882
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide
CID 116657490

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid?
The IUPAC name of (2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid (CID 83104584) is (2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for (2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid is CC[C@@H](NC(=O)N1CCOCC1C(=O)NC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid?
The InChIKey is HZEBJYURHMORHH-YHMJZVADSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-4-9(12(18)19)15-13(20)16-5-6-21-7-10(16)11(17)14-8(2)3/h8-10H,4-7H2,1-3H3,(H,14,17)(H,15,20)(H,18,19)/t9-,10?/m1/s1.
What are the key properties of (2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid?
(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid has a molecular weight of 301.34 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 83104584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).