propan-2-yl (2S)-3-amino-2-methylpropanoate

C7H15NO2 — CID 94542950

IUPACpropan-2-yl (2S)-3-amino-2-methylpropanoate
SMILESCC(C)OC(=O)[C@@H](C)CN
InChIInChI=1S/C7H15NO2/c1-5(2)10-7(9)6(3)4-8/h5-6H,4,8H2,1-3H3/t6-/m0/s1
InChIKeyWMNMBLUPPHBHTD-LURJTMIESA-N
MW145.20 g/mol
LogP0.53
Rot. Bonds3

About propan-2-yl (2S)-3-amino-2-methylpropanoate

propan-2-yl (2S)-3-amino-2-methylpropanoate (PubChem CID 94542950) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is propan-2-yl (2S)-3-amino-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-3-amino-2-methylpropanoate
PubChem CID94542950
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namepropan-2-yl (2S)-3-amino-2-methylpropanoate
SMILESCC(C)OC(=O)[C@@H](C)CN
InChIInChI=1S/C7H15NO2/c1-5(2)10-7(9)6(3)4-8/h5-6H,4,8H2,1-3H3/t6-/m0/s1
InChIKeyWMNMBLUPPHBHTD-LURJTMIESA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-bromo-2-methylpropanoate
CID 12966121
propan-2-yl 2,3-diaminopropanoate
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propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551228
prop-2-enyl (2S)-3-amino-2-methylpropanoate
CID 59815575
propyl 3-amino-2-methylpropanoate
CID 54192704
1-O-propan-2-yl 4-O-propyl 2-methylbutanedioate
CID 173239867
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl 2-aminopropanoate
CID 11804791
methyl (2S)-3-amino-2-(propan-2-yloxycarbonylamino)propanoate
CID 87499575
propan-2-yl 4-(hydroxyamino)oxy-2-methylbutanoate
CID 145423932
1,1-di(propan-2-yl)hydrazine;propan-2-yl 4-hydroxy-2-methylbutanoate
CID 145423953

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-3-amino-2-methylpropanoate?
The IUPAC name of propan-2-yl (2S)-3-amino-2-methylpropanoate (CID 94542950) is propan-2-yl (2S)-3-amino-2-methylpropanoate.
What is the SMILES notation for propan-2-yl (2S)-3-amino-2-methylpropanoate?
The canonical SMILES for propan-2-yl (2S)-3-amino-2-methylpropanoate is CC(C)OC(=O)[C@@H](C)CN.
What is the InChIKey of propan-2-yl (2S)-3-amino-2-methylpropanoate?
The InChIKey is WMNMBLUPPHBHTD-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)10-7(9)6(3)4-8/h5-6H,4,8H2,1-3H3/t6-/m0/s1.
What are the key properties of propan-2-yl (2S)-3-amino-2-methylpropanoate?
propan-2-yl (2S)-3-amino-2-methylpropanoate has a molecular weight of 145.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-3-amino-2-methylpropanoate is sourced from PubChem (CID 94542950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).