2-amino-4-(azetidine-1-carbonylamino)butanoic acid

C8H15N3O3 — CID 70945804

IUPAC2-amino-4-(azetidine-1-carbonylamino)butanoic acid
SMILESNC(CCNC(=O)N1CCC1)C(=O)O
InChIInChI=1S/C8H15N3O3/c9-6(7(12)13)2-3-10-8(14)11-4-1-5-11/h6H,1-5,9H2,(H,10,14)(H,12,13)
InChIKeyQSKLBFGKZITCNY-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.80
Rot. Bonds4

About 2-amino-4-(azetidine-1-carbonylamino)butanoic acid

2-amino-4-(azetidine-1-carbonylamino)butanoic acid (PubChem CID 70945804) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-amino-4-(azetidine-1-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(azetidine-1-carbonylamino)butanoic acid
PubChem CID70945804
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name2-amino-4-(azetidine-1-carbonylamino)butanoic acid
SMILESNC(CCNC(=O)N1CCC1)C(=O)O
InChIInChI=1S/C8H15N3O3/c9-6(7(12)13)2-3-10-8(14)11-4-1-5-11/h6H,1-5,9H2,(H,10,14)(H,12,13)
InChIKeyQSKLBFGKZITCNY-UHFFFAOYSA-N
XLogP-0.80
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid
CID 70945574
(2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid
CID 67154382
6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid
CID 130218221
(2S)-2-amino-4-(2-pyrrolidin-1-ylethylcarbamoylamino)butanoic acid
CID 67154377
(2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide
CID 175256682
2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid
CID 70945544
(2S)-2-amino-4-[(4-oxo-4-piperazin-1-ylbutanoyl)amino]butanoic acid
CID 67155036
(2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid
CID 70945752
(2S)-2-amino-4-(methylcarbamoylamino)butanoic acid
CID 87289621
(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
CID 104934111
(2S)-4-(3-azaspiro[5.5]undecane-3-carbonylamino)-2-hydroxybutanoic acid
CID 107839771
2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(azetidine-1-carbonylamino)butanoic acid?
The IUPAC name of 2-amino-4-(azetidine-1-carbonylamino)butanoic acid (CID 70945804) is 2-amino-4-(azetidine-1-carbonylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(azetidine-1-carbonylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(azetidine-1-carbonylamino)butanoic acid is NC(CCNC(=O)N1CCC1)C(=O)O.
What is the InChIKey of 2-amino-4-(azetidine-1-carbonylamino)butanoic acid?
The InChIKey is QSKLBFGKZITCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c9-6(7(12)13)2-3-10-8(14)11-4-1-5-11/h6H,1-5,9H2,(H,10,14)(H,12,13).
What are the key properties of 2-amino-4-(azetidine-1-carbonylamino)butanoic acid?
2-amino-4-(azetidine-1-carbonylamino)butanoic acid has a molecular weight of 201.23 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(azetidine-1-carbonylamino)butanoic acid is sourced from PubChem (CID 70945804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).