1-acetyloxyethyl 2-amino-4-methylpentanoate

C10H19NO4 — CID 87922143

IUPAC1-acetyloxyethyl 2-amino-4-methylpentanoate
SMILESCC(=O)OC(C)OC(=O)C(N)CC(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)5-9(11)10(13)15-8(4)14-7(3)12/h6,8-9H,5,11H2,1-4H3
InChIKeyYPKKNPLZZSDBJG-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.81
Rot. Bonds5

About 1-acetyloxyethyl 2-amino-4-methylpentanoate

1-acetyloxyethyl 2-amino-4-methylpentanoate (PubChem CID 87922143) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-acetyloxyethyl 2-amino-4-methylpentanoate.

Molecular Properties

Compound Name1-acetyloxyethyl 2-amino-4-methylpentanoate
PubChem CID87922143
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-acetyloxyethyl 2-amino-4-methylpentanoate
SMILESCC(=O)OC(C)OC(=O)C(N)CC(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)5-9(11)10(13)15-8(4)14-7(3)12/h6,8-9H,5,11H2,1-4H3
InChIKeyYPKKNPLZZSDBJG-UHFFFAOYSA-N
XLogP0.81
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methylpentan-2-yl 2-amino-4-methylpentanoate
CID 61277406
CID 164753988
CID 164753988
[(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate
CID 139407331
[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate
CID 90745956
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
(2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate
CID 159439420
2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate
CID 175101609
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
1-phenylethyl 2-amino-4-methylpentanoate
CID 61277659
methyl 2-acetyloxy-4-methylpentanoate
CID 14875689
methyl 2-amino-4-methylpentanoate;phosphoric acid
CID 175229624

Frequently Asked Questions

What is the IUPAC name of 1-acetyloxyethyl 2-amino-4-methylpentanoate?
The IUPAC name of 1-acetyloxyethyl 2-amino-4-methylpentanoate (CID 87922143) is 1-acetyloxyethyl 2-amino-4-methylpentanoate.
What is the SMILES notation for 1-acetyloxyethyl 2-amino-4-methylpentanoate?
The canonical SMILES for 1-acetyloxyethyl 2-amino-4-methylpentanoate is CC(=O)OC(C)OC(=O)C(N)CC(C)C.
What is the InChIKey of 1-acetyloxyethyl 2-amino-4-methylpentanoate?
The InChIKey is YPKKNPLZZSDBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6(2)5-9(11)10(13)15-8(4)14-7(3)12/h6,8-9H,5,11H2,1-4H3.
What are the key properties of 1-acetyloxyethyl 2-amino-4-methylpentanoate?
1-acetyloxyethyl 2-amino-4-methylpentanoate has a molecular weight of 217.26 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxyethyl 2-amino-4-methylpentanoate is sourced from PubChem (CID 87922143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).