4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid

C11H19NO5 — CID 103555576

IUPAC4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid
SMILESCOC1(CC(=O)NC(CCO)C(=O)O)CCC1
InChIInChI=1S/C11H19NO5/c1-17-11(4-2-5-11)7-9(14)12-8(3-6-13)10(15)16/h8,13H,2-7H2,1H3,(H,12,14)(H,15,16)
InChIKeyYUCLXPFIQROSJH-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.10
Rot. Bonds7

About 4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid

4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid (PubChem CID 103555576) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid
PubChem CID103555576
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid
SMILESCOC1(CC(=O)NC(CCO)C(=O)O)CCC1
InChIInChI=1S/C11H19NO5/c1-17-11(4-2-5-11)7-9(14)12-8(3-6-13)10(15)16/h8,13H,2-7H2,1H3,(H,12,14)(H,15,16)
InChIKeyYUCLXPFIQROSJH-UHFFFAOYSA-N
XLogP-0.10
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]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

(2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid
CID 103555686
2-cyclohexyl-2-[[2-(1-methoxycyclobutyl)acetyl]amino]acetic acid
CID 103555560
diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate
CID 103519956
ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
CID 103520334
2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786524
N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 106156097
(2S)-4-hydroxy-2-[(2-sulfanylacetyl)amino]butanoic acid
CID 91260947
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide
CID 119047530
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267
2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 103161841
(2S)-4-hydroxy-2-(3-oxobutanoylamino)butanoic acid
CID 54118201
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120690223

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid (CID 103555576) is 4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid is COC1(CC(=O)NC(CCO)C(=O)O)CCC1.
What is the InChIKey of 4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid?
The InChIKey is YUCLXPFIQROSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-17-11(4-2-5-11)7-9(14)12-8(3-6-13)10(15)16/h8,13H,2-7H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid?
4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid has a molecular weight of 245.27 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 103555576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).