4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid

C11H21N3O4 — CID 123232497

IUPAC4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid
SMILESNC(CN1CCOCC1)C(=O)NCCCC(=O)O
InChIInChI=1S/C11H21N3O4/c12-9(8-14-4-6-18-7-5-14)11(17)13-3-1-2-10(15)16/h9H,1-8,12H2,(H,13,17)(H,15,16)
InChIKeyWTJNPLZXLQXINP-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.37
Rot. Bonds7

About 4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid

4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid (PubChem CID 123232497) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid
PubChem CID123232497
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid
SMILESNC(CN1CCOCC1)C(=O)NCCCC(=O)O
InChIInChI=1S/C11H21N3O4/c12-9(8-14-4-6-18-7-5-14)11(17)13-3-1-2-10(15)16/h9H,1-8,12H2,(H,13,17)(H,15,16)
InChIKeyWTJNPLZXLQXINP-UHFFFAOYSA-N
XLogP-1.37
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
4-(2,3-diaminopropanoylamino)butanoic acid
CID 123677811
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
(4S)-4-amino-5-morpholin-4-ylpentanoic acid
CID 97055085
2-amino-4-methyl-1-morpholin-4-ylpentan-3-one
CID 83686496
4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid
CID 175962096
2-amino-3-methoxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 81081646
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
(2R)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 78972664
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid?
The IUPAC name of 4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid (CID 123232497) is 4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid is NC(CN1CCOCC1)C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid?
The InChIKey is WTJNPLZXLQXINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c12-9(8-14-4-6-18-7-5-14)11(17)13-3-1-2-10(15)16/h9H,1-8,12H2,(H,13,17)(H,15,16).
What are the key properties of 4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid?
4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid has a molecular weight of 259.31 g/mol, XLogP of -1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid is sourced from PubChem (CID 123232497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).