(3-amino-3-oxopropyl) propanoate

C6H11NO3 — CID 54518941

IUPAC(3-amino-3-oxopropyl) propanoate
SMILESCCC(=O)OCCC(N)=O
InChIInChI=1S/C6H11NO3/c1-2-6(9)10-4-3-5(7)8/h2-4H2,1H3,(H2,7,8)
InChIKeyQNWQZVBLECCXAG-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.19
Rot. Bonds4

About (3-amino-3-oxopropyl) propanoate

(3-amino-3-oxopropyl) propanoate (PubChem CID 54518941) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3-amino-3-oxopropyl) propanoate.

Molecular Properties

Compound Name(3-amino-3-oxopropyl) propanoate
PubChem CID54518941
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3-amino-3-oxopropyl) propanoate
SMILESCCC(=O)OCCC(N)=O
InChIInChI=1S/C6H11NO3/c1-2-6(9)10-4-3-5(7)8/h2-4H2,1H3,(H2,7,8)
InChIKeyQNWQZVBLECCXAG-UHFFFAOYSA-N
XLogP-0.19
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloroethyl 3-propanoyloxypropanoate
CID 173277422
(3-amino-3-oxopropyl) acetate
CID 19981550
14-propanoyloxytetradecyl propanoate
CID 100931915
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-tellanylethyl propanoate
CID 174440561
2-aminoethyl propanoate;zinc
CID 175266115
methyl 3-propanoyloxypropanoate;3-oxobutyl propanoate
CID 160585097
[(Z)-3-methyl-5-propanoyloxypent-3-enyl] propanoate
CID 146216389
2-hydroxyethyl propanoate;propanoic acid
CID 175568032
2-[ethyl(iodo)amino]ethyl propanoate
CID 167202757
butanoyl 4-amino-4-oxobutanoate
CID 154449592
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-oxopropyl) propanoate?
The IUPAC name of (3-amino-3-oxopropyl) propanoate (CID 54518941) is (3-amino-3-oxopropyl) propanoate.
What is the SMILES notation for (3-amino-3-oxopropyl) propanoate?
The canonical SMILES for (3-amino-3-oxopropyl) propanoate is CCC(=O)OCCC(N)=O.
What is the InChIKey of (3-amino-3-oxopropyl) propanoate?
The InChIKey is QNWQZVBLECCXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-6(9)10-4-3-5(7)8/h2-4H2,1H3,(H2,7,8).
What are the key properties of (3-amino-3-oxopropyl) propanoate?
(3-amino-3-oxopropyl) propanoate has a molecular weight of 145.16 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-oxopropyl) propanoate is sourced from PubChem (CID 54518941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).