[(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate

C8H15NO4 — CID 155408739

IUPAC[(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCOC(=O)[C@H](C)N
InChIInChI=1S/C8H15NO4/c1-5(2)7(10)12-4-13-8(11)6(3)9/h5-6H,4,9H2,1-3H3/t6-/m0/s1
InChIKeyBINYWYZQAHRDHS-LURJTMIESA-N
MW189.21 g/mol
LogP0.03
Rot. Bonds4

About [(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate

[(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate (PubChem CID 155408739) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is [(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate.

Molecular Properties

Compound Name[(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate
PubChem CID155408739
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name[(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCOC(=O)[C@H](C)N
InChIInChI=1S/C8H15NO4/c1-5(2)7(10)12-4-13-8(11)6(3)9/h5-6H,4,9H2,1-3H3/t6-/m0/s1
InChIKeyBINYWYZQAHRDHS-LURJTMIESA-N
XLogP0.03
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.03
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

2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate
CID 156731483
aminomethyl (2S)-2-aminopropanoate
CID 139681738
2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate
CID 141382617
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
1-O-ethyl 4-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate
CID 46179455
prop-2-enyl 2-aminopropanoate
CID 91515395
ethyl (2S)-2-aminopropanoate;molecular hydrogen
CID 145195719
sodium (E)-4-(2-methylpropanoyloxymethoxy)-4-oxobut-2-enoate
CID 140738806
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
2-bromopropanoyloxymethyl 2-bromopropanoate
CID 146451354
2,2-dimethylpropyl (2R)-2-aminopropanoate
CID 86662579
[(2S)-2-fluoropropyl]carbamoyloxymethyl 2-methylpropanoate
CID 173052707

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate?
The IUPAC name of [(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate (CID 155408739) is [(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate.
What is the SMILES notation for [(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate?
The canonical SMILES for [(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate is CC(C)C(=O)OCOC(=O)[C@H](C)N.
What is the InChIKey of [(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate?
The InChIKey is BINYWYZQAHRDHS-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(2)7(10)12-4-13-8(11)6(3)9/h5-6H,4,9H2,1-3H3/t6-/m0/s1.
What are the key properties of [(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate?
[(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate has a molecular weight of 189.21 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate is sourced from PubChem (CID 155408739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).