ethyl 3-methyl-2-(phenylmethoxyamino)butanoate

C14H21NO3 — CID 10606616

IUPACethyl 3-methyl-2-(phenylmethoxyamino)butanoate
SMILESCCOC(=O)C(NOCc1ccccc1)C(C)C
InChIInChI=1S/C14H21NO3/c1-4-17-14(16)13(11(2)3)15-18-10-12-8-6-5-7-9-12/h5-9,11,13,15H,4,10H2,1-3H3
InChIKeyMOAMQGVURFPJCC-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.30
Rot. Bonds7

About ethyl 3-methyl-2-(phenylmethoxyamino)butanoate

ethyl 3-methyl-2-(phenylmethoxyamino)butanoate (PubChem CID 10606616) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 3-methyl-2-(phenylmethoxyamino)butanoate.

Molecular Properties

Compound Nameethyl 3-methyl-2-(phenylmethoxyamino)butanoate
PubChem CID10606616
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 3-methyl-2-(phenylmethoxyamino)butanoate
SMILESCCOC(=O)C(NOCc1ccccc1)C(C)C
InChIInChI=1S/C14H21NO3/c1-4-17-14(16)13(11(2)3)15-18-10-12-8-6-5-7-9-12/h5-9,11,13,15H,4,10H2,1-3H3
InChIKeyMOAMQGVURFPJCC-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.30
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

Benzyl 2-aminoacetate hydrochloride
CID 11701227
(2S,3R)-2-amino-3-(benzyloxy)butanoic acid
CID 6951054
D-Alanine, phenylmethyl ester
CID 726857
benzyl (2S)-2-amino-3-methylbutanoate
CID 6950584
Benzyl L-alaninate hydrochloride
CID 437645
H-Ser(Bzl)-Ome,hcL
CID 44630138
2-(benzyloxyamino)-N-hydroxy-3-methylpentanamide
CID 16721024
Benzyl 2-amino-4-methylpentanoate
CID 102682
L-Valine benzyl ester hydrochloride
CID 11601206
Benzyl 2-aminopropanoate hydrochloride
CID 12210891
benzyl (2S)-2-amino-4-methylpentanoate hydrochloride
CID 12928659
Benzyl L-leucinate
CID 6451313

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-(phenylmethoxyamino)butanoate?
The IUPAC name of ethyl 3-methyl-2-(phenylmethoxyamino)butanoate (CID 10606616) is ethyl 3-methyl-2-(phenylmethoxyamino)butanoate.
What is the SMILES notation for ethyl 3-methyl-2-(phenylmethoxyamino)butanoate?
The canonical SMILES for ethyl 3-methyl-2-(phenylmethoxyamino)butanoate is CCOC(=O)C(NOCc1ccccc1)C(C)C.
What is the InChIKey of ethyl 3-methyl-2-(phenylmethoxyamino)butanoate?
The InChIKey is MOAMQGVURFPJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-17-14(16)13(11(2)3)15-18-10-12-8-6-5-7-9-12/h5-9,11,13,15H,4,10H2,1-3H3.
What are the key properties of ethyl 3-methyl-2-(phenylmethoxyamino)butanoate?
ethyl 3-methyl-2-(phenylmethoxyamino)butanoate has a molecular weight of 251.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-(phenylmethoxyamino)butanoate is sourced from PubChem (CID 10606616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).