butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate

C11H23NO4 — CID 106159517

IUPACbutyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
SMILESCCCCOC(=O)CNC(CCO)COC
InChIInChI=1S/C11H23NO4/c1-3-4-7-16-11(14)8-12-10(5-6-13)9-15-2/h10,12-13H,3-9H2,1-2H3
InChIKeyQPWCVWYWLSYEDT-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.32
Rot. Bonds10

About butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate

butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate (PubChem CID 106159517) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
PubChem CID106159517
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Namebutyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
SMILESCCCCOC(=O)CNC(CCO)COC
InChIInChI=1S/C11H23NO4/c1-3-4-7-16-11(14)8-12-10(5-6-13)9-15-2/h10,12-13H,3-9H2,1-2H3
InChIKeyQPWCVWYWLSYEDT-UHFFFAOYSA-N
XLogP0.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methoxyhexan-2-ylamino)-N-methylacetamide
CID 115706822
butyl 2-(hexan-2-ylamino)acetate
CID 62198750
4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol
CID 115725096
butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate
CID 79248871
ethyl 6-[(4-hydroxy-1-methoxybutan-2-yl)amino]hexanoate
CID 106159795
3-(heptan-3-ylamino)-4-methoxybutan-1-ol
CID 115722634
N-tert-butyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159964
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 106159877
butyl 2-(1-cyclopropylbutan-2-ylamino)acetate
CID 63995531
pentyl 2-(propan-2-ylamino)acetate
CID 61304310
butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate
CID 88937334
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 106159823

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate?
The IUPAC name of butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate (CID 106159517) is butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate.
What is the SMILES notation for butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate?
The canonical SMILES for butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate is CCCCOC(=O)CNC(CCO)COC.
What is the InChIKey of butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate?
The InChIKey is QPWCVWYWLSYEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-3-4-7-16-11(14)8-12-10(5-6-13)9-15-2/h10,12-13H,3-9H2,1-2H3.
What are the key properties of butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate?
butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate has a molecular weight of 233.31 g/mol, XLogP of 0.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate is sourced from PubChem (CID 106159517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).