(2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid

C12H21N3O5 — CID 70945752

IUPAC(2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid
SMILESN[C@@H](CCNC(=O)CCC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C12H21N3O5/c13-9(12(18)19)3-4-14-10(16)1-2-11(17)15-5-7-20-8-6-15/h9H,1-8,13H2,(H,14,16)(H,18,19)/t9-/m0/s1
InChIKeyRCGVHNUNGURZGV-VIFPVBQESA-N
MW287.32 g/mol
LogP-1.46
Rot. Bonds7

About (2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid

(2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid (PubChem CID 70945752) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid
PubChem CID70945752
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid
SMILESN[C@@H](CCNC(=O)CCC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C12H21N3O5/c13-9(12(18)19)3-4-14-10(16)1-2-11(17)15-5-7-20-8-6-15/h9H,1-8,13H2,(H,14,16)(H,18,19)/t9-/m0/s1
InChIKeyRCGVHNUNGURZGV-VIFPVBQESA-N
XLogP-1.46
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid with MolForge

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Related Compounds

(2S)-2-amino-4-[(4-oxo-4-piperazin-1-ylbutanoyl)amino]butanoic acid
CID 67155036
2-amino-4-(4-morpholin-4-yl-4-oxobutyl)sulfanylbutanoic acid
CID 54933104
(2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid
CID 157029162
3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943424
(2S)-2-amino-4-[3-(methylamino)propanoylamino]butanoic acid
CID 87358924
2,6-bis[[2-(3-morpholin-4-yl-3-oxopropyl)sulfanylacetyl]amino]hexanoic acid
CID 70826387
4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide
CID 113266090
(2R)-4-methyl-2-[(4-morpholin-4-yl-4-oxobutanoyl)amino]pentanoic acid
CID 119363098
2-amino-4-(azetidine-1-carbonylamino)butanoic acid
CID 70945804
2-morpholin-4-yl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 86019043
2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid
CID 70945574
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid (CID 70945752) is (2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid is N[C@@H](CCNC(=O)CCC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid?
The InChIKey is RCGVHNUNGURZGV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O5/c13-9(12(18)19)3-4-14-10(16)1-2-11(17)15-5-7-20-8-6-15/h9H,1-8,13H2,(H,14,16)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid?
(2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid has a molecular weight of 287.32 g/mol, XLogP of -1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid is sourced from PubChem (CID 70945752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).