butyl 2-amino-3-hydroxy-2-methylpropanoate

C8H17NO3 — CID 91407475

IUPACbutyl 2-amino-3-hydroxy-2-methylpropanoate
SMILESCCCCOC(=O)C(C)(N)CO
InChIInChI=1S/C8H17NO3/c1-3-4-5-12-7(11)8(2,9)6-10/h10H,3-6,9H2,1-2H3
InChIKeyGEDXMLAHLVQSSZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.04
Rot. Bonds5

About butyl 2-amino-3-hydroxy-2-methylpropanoate

butyl 2-amino-3-hydroxy-2-methylpropanoate (PubChem CID 91407475) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is butyl 2-amino-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namebutyl 2-amino-3-hydroxy-2-methylpropanoate
PubChem CID91407475
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namebutyl 2-amino-3-hydroxy-2-methylpropanoate
SMILESCCCCOC(=O)C(C)(N)CO
InChIInChI=1S/C8H17NO3/c1-3-4-5-12-7(11)8(2,9)6-10/h10H,3-6,9H2,1-2H3
InChIKeyGEDXMLAHLVQSSZ-UHFFFAOYSA-N
XLogP0.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methylserine
CID 94309
2-Methyl-L-serine
CID 7000050
(S)-(+)-2-amino-3-hydroxy-2-methylpropionate
CID 7000049
2-Methyl-D-serine
CID 439656
alpha-ethyl-L-serine zwitterion
CID 146170907
2-Ammonio-3-hydroxy-2-methylpropanoate
CID 25202874
CID 6971247
CID 6971247
Methyl 2-amino-3-hydroxy-2-methylpropanoate hydrochloride
CID 13221872
2-Amino-3-methoxy-2-methylpropanoic acid hydrochloride
CID 71755433
2-Ethyl serine
CID 11990664
2-Amino-3-methoxy-2-methylpropanoic acid
CID 560263
Methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate hydrochloride
CID 165940782

Frequently Asked Questions

What is the IUPAC name of butyl 2-amino-3-hydroxy-2-methylpropanoate?
The IUPAC name of butyl 2-amino-3-hydroxy-2-methylpropanoate (CID 91407475) is butyl 2-amino-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for butyl 2-amino-3-hydroxy-2-methylpropanoate?
The canonical SMILES for butyl 2-amino-3-hydroxy-2-methylpropanoate is CCCCOC(=O)C(C)(N)CO.
What is the InChIKey of butyl 2-amino-3-hydroxy-2-methylpropanoate?
The InChIKey is GEDXMLAHLVQSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-4-5-12-7(11)8(2,9)6-10/h10H,3-6,9H2,1-2H3.
What are the key properties of butyl 2-amino-3-hydroxy-2-methylpropanoate?
butyl 2-amino-3-hydroxy-2-methylpropanoate has a molecular weight of 175.23 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-amino-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 91407475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).