butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate

C11H22N2O4 — CID 142691170

IUPACbutyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate
SMILESCCCCOC(=O)C(O)(CCC)NC(=O)CN
InChIInChI=1S/C11H22N2O4/c1-3-5-7-17-10(15)11(16,6-4-2)13-9(14)8-12/h16H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyYPUSCDKPIIONLL-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.11
Rot. Bonds8

About butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate

butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate (PubChem CID 142691170) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate.

Molecular Properties

Compound Namebutyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate
PubChem CID142691170
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namebutyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate
SMILESCCCCOC(=O)C(O)(CCC)NC(=O)CN
InChIInChI=1S/C11H22N2O4/c1-3-5-7-17-10(15)11(16,6-4-2)13-9(14)8-12/h16H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyYPUSCDKPIIONLL-UHFFFAOYSA-N
XLogP-0.11
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate 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

2-(butoxycarbonylamino)-2-hydroxypentanoic acid
CID 87889866
dibutyl 2,3-dibutyl-2,3-dihydroxybutanedioate
CID 89262436
butyl 3-amino-2-hydroxy-2-methylpropanoate
CID 66172031
butyl 2-phosphoroso-2-propylpentanoate
CID 174569250
butyl 3-amino-2-carbamoyl-2-hydroxy-3-oxopropanoate
CID 175015726
pentyl 2-ethyl-2-hydroxypentanoate
CID 174930483
butyl 2,2,2-tris(sulfanyl)acetate
CID 118063051
butyl 2-formyl-2-hydroxy-3-oxopropanoate
CID 141213420
butyl 2-iodo-2-methylpropanoate
CID 87865989
butyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate
CID 118899192
dibutyl 2-butyl-2-propan-2-ylpropanedioate
CID 57179472
butyl (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
CID 11117391

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate?
The IUPAC name of butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate (CID 142691170) is butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate.
What is the SMILES notation for butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate?
The canonical SMILES for butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate is CCCCOC(=O)C(O)(CCC)NC(=O)CN.
What is the InChIKey of butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate?
The InChIKey is YPUSCDKPIIONLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-3-5-7-17-10(15)11(16,6-4-2)13-9(14)8-12/h16H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate?
butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate has a molecular weight of 246.31 g/mol, XLogP of -0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate is sourced from PubChem (CID 142691170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).