2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid

C12H23N3O3 — CID 63171453

IUPAC2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
SMILESNC(CCN1CCC(N2CCOCC2)C1)C(=O)O
InChIInChI=1S/C12H23N3O3/c13-11(12(16)17)2-4-14-3-1-10(9-14)15-5-7-18-8-6-15/h10-11H,1-9,13H2,(H,16,17)
InChIKeyRTWPDORUNOIVFV-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.81
Rot. Bonds5

About 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid

2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid (PubChem CID 63171453) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
PubChem CID63171453
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
SMILESNC(CCN1CCC(N2CCOCC2)C1)C(=O)O
InChIInChI=1S/C12H23N3O3/c13-11(12(16)17)2-4-14-3-1-10(9-14)15-5-7-18-8-6-15/h10-11H,1-9,13H2,(H,16,17)
InChIKeyRTWPDORUNOIVFV-UHFFFAOYSA-N
XLogP-0.81
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55160526
2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171016
2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 65248073
ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 63171014
2-amino-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-ol
CID 64791499
2-(cyclopropylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-ol
CID 64791909
2-(ethylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-ol
CID 64791294
1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 63171130
2-amino-4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butanamide
CID 63151182
N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 55159927
4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63171009
(E)-3-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)but-2-enoic acid
CID 55237498

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid (CID 63171453) is 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid is NC(CCN1CCC(N2CCOCC2)C1)C(=O)O.
What is the InChIKey of 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid?
The InChIKey is RTWPDORUNOIVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c13-11(12(16)17)2-4-14-3-1-10(9-14)15-5-7-18-8-6-15/h10-11H,1-9,13H2,(H,16,17).
What are the key properties of 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid?
2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid has a molecular weight of 257.33 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 63171453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).