ethyl 3-[hydroxy(methyl)amino]butanoate

C7H15NO3 — CID 131856293

IUPACethyl 3-[hydroxy(methyl)amino]butanoate
SMILESCCOC(=O)CC(C)N(C)O
InChIInChI=1S/C7H15NO3/c1-4-11-7(9)5-6(2)8(3)10/h6,10H,4-5H2,1-3H3
InChIKeyNGEFAIKVNAUJKX-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.65
Rot. Bonds4

About ethyl 3-[hydroxy(methyl)amino]butanoate

ethyl 3-[hydroxy(methyl)amino]butanoate (PubChem CID 131856293) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is ethyl 3-[hydroxy(methyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[hydroxy(methyl)amino]butanoate
PubChem CID131856293
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nameethyl 3-[hydroxy(methyl)amino]butanoate
SMILESCCOC(=O)CC(C)N(C)O
InChIInChI=1S/C7H15NO3/c1-4-11-7(9)5-6(2)8(3)10/h6,10H,4-5H2,1-3H3
InChIKeyNGEFAIKVNAUJKX-UHFFFAOYSA-N
XLogP0.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(dimethylamino)butanoate
CID 3020377
ethyl (4S)-3,4-dihydroxypentanoate
CID 156690497
ethyl 3-[bis(2-ethoxyethyl)amino]butanoate
CID 82951064
ethyl 3-[1-cyanopropan-2-yl(methyl)amino]butanoate
CID 63223074
ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate
CID 62922968
ethyl (3R)-3-methylpentanoate
CID 7567160
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
ethyl 3-[bis(3-methylbutyl)amino]butanoate
CID 107870305
ethyl (3R)-3-methyl-4-oxopentanoate
CID 14870757
ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate
CID 10057807
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
ethyl 3-[ethoxycarbonyl-(3-ethoxy-3-oxopropyl)amino]butanoate
CID 15696583

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[hydroxy(methyl)amino]butanoate?
The IUPAC name of ethyl 3-[hydroxy(methyl)amino]butanoate (CID 131856293) is ethyl 3-[hydroxy(methyl)amino]butanoate.
What is the SMILES notation for ethyl 3-[hydroxy(methyl)amino]butanoate?
The canonical SMILES for ethyl 3-[hydroxy(methyl)amino]butanoate is CCOC(=O)CC(C)N(C)O.
What is the InChIKey of ethyl 3-[hydroxy(methyl)amino]butanoate?
The InChIKey is NGEFAIKVNAUJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-11-7(9)5-6(2)8(3)10/h6,10H,4-5H2,1-3H3.
What are the key properties of ethyl 3-[hydroxy(methyl)amino]butanoate?
ethyl 3-[hydroxy(methyl)amino]butanoate has a molecular weight of 161.20 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[hydroxy(methyl)amino]butanoate is sourced from PubChem (CID 131856293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).