2-(morpholine-4-carbonylamino)butanoic acid

C9H16N2O4 — CID 61187325

IUPAC2-(morpholine-4-carbonylamino)butanoic acid
SMILESCCC(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-2-7(8(12)13)10-9(14)11-3-5-15-6-4-11/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyCBKJZFWSFBJQPQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.11
Rot. Bonds3

About 2-(morpholine-4-carbonylamino)butanoic acid

2-(morpholine-4-carbonylamino)butanoic acid (PubChem CID 61187325) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(morpholine-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-(morpholine-4-carbonylamino)butanoic acid
PubChem CID61187325
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-(morpholine-4-carbonylamino)butanoic acid
SMILESCCC(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-2-7(8(12)13)10-9(14)11-3-5-15-6-4-11/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyCBKJZFWSFBJQPQ-UHFFFAOYSA-N
XLogP-0.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(morpholine-4-carbonylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
CID 81077004
2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62968340
(2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 107566897
2-(1,4-oxazepane-4-carbonylamino)hexanoic acid
CID 62967980
4-methyl-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62969212
(2R)-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 81115379
(2R)-4-amino-2-(1,4-oxazepane-4-carbonylamino)-4-oxobutanoic acid
CID 107827630
(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid
CID 11781067
4,4-difluoro-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 76558764
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]butanoic acid
CID 54986104
2-[[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]amino]butanoic acid
CID 62971616

Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-4-carbonylamino)butanoic acid?
The IUPAC name of 2-(morpholine-4-carbonylamino)butanoic acid (CID 61187325) is 2-(morpholine-4-carbonylamino)butanoic acid.
What is the SMILES notation for 2-(morpholine-4-carbonylamino)butanoic acid?
The canonical SMILES for 2-(morpholine-4-carbonylamino)butanoic acid is CCC(NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 2-(morpholine-4-carbonylamino)butanoic acid?
The InChIKey is CBKJZFWSFBJQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-2-7(8(12)13)10-9(14)11-3-5-15-6-4-11/h7H,2-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 2-(morpholine-4-carbonylamino)butanoic acid?
2-(morpholine-4-carbonylamino)butanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-4-carbonylamino)butanoic acid is sourced from PubChem (CID 61187325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).