(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid

C9H16N2O4 — CID 79854103

IUPAC(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid
SMILESNC1(CC(=O)N[C@@H](CO)C(=O)O)CCC1
InChIInChI=1S/C9H16N2O4/c10-9(2-1-3-9)4-7(13)11-6(5-12)8(14)15/h6,12H,1-5,10H2,(H,11,13)(H,14,15)/t6-/m0/s1
InChIKeyDZEUUOCWZIVFOL-LURJTMIESA-N
MW216.24 g/mol
LogP-1.18
Rot. Bonds5

About (2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid

(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 79854103) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID79854103
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid
SMILESNC1(CC(=O)N[C@@H](CO)C(=O)O)CCC1
InChIInChI=1S/C9H16N2O4/c10-9(2-1-3-9)4-7(13)11-6(5-12)8(14)15/h6,12H,1-5,10H2,(H,11,13)(H,14,15)/t6-/m0/s1
InChIKeyDZEUUOCWZIVFOL-LURJTMIESA-N
XLogP-1.18
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid
CID 107565076
(2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
CID 104902044
2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786524
5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid
CID 64679399
3-hydroxy-2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 65242594
(2R)-3-hydroxy-2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 80751284
(2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824195
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 79854627
2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 79853679
2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid
CID 81078638
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 80750294
2-[[2-(1-aminocyclobutyl)acetyl]amino]propanamide
CID 79851893

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid (CID 79854103) is (2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid is NC1(CC(=O)N[C@@H](CO)C(=O)O)CCC1.
What is the InChIKey of (2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is DZEUUOCWZIVFOL-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N2O4/c10-9(2-1-3-9)4-7(13)11-6(5-12)8(14)15/h6,12H,1-5,10H2,(H,11,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid?
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.18, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 79854103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).