propyl 3-amino-2-methylpropanoate

C7H15NO2 — CID 54192704

IUPACpropyl 3-amino-2-methylpropanoate
SMILESCCCOC(=O)C(C)CN
InChIInChI=1S/C7H15NO2/c1-3-4-10-7(9)6(2)5-8/h6H,3-5,8H2,1-2H3
InChIKeyBFMURTIRMWONSE-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.53
Rot. Bonds4

About propyl 3-amino-2-methylpropanoate

propyl 3-amino-2-methylpropanoate (PubChem CID 54192704) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is propyl 3-amino-2-methylpropanoate.

Molecular Properties

Compound Namepropyl 3-amino-2-methylpropanoate
PubChem CID54192704
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namepropyl 3-amino-2-methylpropanoate
SMILESCCCOC(=O)C(C)CN
InChIInChI=1S/C7H15NO2/c1-3-4-10-7(9)6(2)5-8/h6H,3-5,8H2,1-2H3
InChIKeyBFMURTIRMWONSE-UHFFFAOYSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

propyl (2R)-2-methylbutanoate
CID 86306230
propyl 2-methyl-3-propoxypropanoate
CID 54511577
propyl 2-methylhexanoate
CID 15464658
2-methylpentyl 3-amino-2-methylpropanoate
CID 103284221
propyl (2S)-2-chloropropanoate
CID 40565872
propyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 57168627
propyl (2S,3R)-3-hydroxy-2-methylbutanoate
CID 57018774
2-(3-oxobutanoyloxy)ethyl 2-methylpentanoate
CID 123747278
propan-2-yl (2S)-3-amino-2-methylpropanoate
CID 94542950
dipropyl 2,3-diiodobutanedioate
CID 87640369
propyl 2-(aminomethyl)hexanoate
CID 175966653
1-O-ethyl 3-O-propyl 2-propylpropanedioate
CID 175366314

Frequently Asked Questions

What is the IUPAC name of propyl 3-amino-2-methylpropanoate?
The IUPAC name of propyl 3-amino-2-methylpropanoate (CID 54192704) is propyl 3-amino-2-methylpropanoate.
What is the SMILES notation for propyl 3-amino-2-methylpropanoate?
The canonical SMILES for propyl 3-amino-2-methylpropanoate is CCCOC(=O)C(C)CN.
What is the InChIKey of propyl 3-amino-2-methylpropanoate?
The InChIKey is BFMURTIRMWONSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-10-7(9)6(2)5-8/h6H,3-5,8H2,1-2H3.
What are the key properties of propyl 3-amino-2-methylpropanoate?
propyl 3-amino-2-methylpropanoate has a molecular weight of 145.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-amino-2-methylpropanoate is sourced from PubChem (CID 54192704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).