(2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid

C13H23N3O5 — CID 107839880

IUPAC(2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)[C@@H](O)CCNC(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C13H23N3O5/c17-11(12(18)19)1-3-14-13(20)16-4-2-10(9-16)15-5-7-21-8-6-15/h10-11,17H,1-9H2,(H,14,20)(H,18,19)/t10?,11-/m0/s1
InChIKeyLKBJWMNHELGORG-DTIOYNMSSA-N
MW301.34 g/mol
LogP-1.06
Rot. Bonds5

About (2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid

(2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid (PubChem CID 107839880) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid
PubChem CID107839880
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name(2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)[C@@H](O)CCNC(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C13H23N3O5/c17-11(12(18)19)1-3-14-13(20)16-4-2-10(9-16)15-5-7-21-8-6-15/h10-11,17H,1-9H2,(H,14,20)(H,18,19)/t10?,11-/m0/s1
InChIKeyLKBJWMNHELGORG-DTIOYNMSSA-N
XLogP-1.06
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
CID 104934111
(2S)-2-hydroxy-4-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 107838122
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)-2-hydroxybutanoic acid
CID 107838571
(2S)-2-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 78944972
2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107840959
2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428804
2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841501
(2S)-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-hydroxybutanoic acid
CID 107838542
(2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 107840207
4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]-4-oxobut-2-enoic acid
CID 76999792
2-(cyclopropylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63172093

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid (CID 107839880) is (2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid is O=C(O)[C@@H](O)CCNC(=O)N1CCC(N2CCOCC2)C1.
What is the InChIKey of (2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
The InChIKey is LKBJWMNHELGORG-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H23N3O5/c17-11(12(18)19)1-3-14-13(20)16-4-2-10(9-16)15-5-7-21-8-6-15/h10-11,17H,1-9H2,(H,14,20)(H,18,19)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
(2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid has a molecular weight of 301.34 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107839880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).