3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid

C13H25N3O3 — CID 43397033

IUPAC3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
SMILESCCN(CC)C(=O)CN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C13H25N3O3/c1-3-16(4-2)12(17)11-15-9-7-14(8-10-15)6-5-13(18)19/h3-11H2,1-2H3,(H,18,19)
InChIKeyHOVJJMWTKXBDQA-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.05
Rot. Bonds7

About 3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid

3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid (PubChem CID 43397033) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
PubChem CID43397033
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
SMILESCCN(CC)C(=O)CN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C13H25N3O3/c1-3-16(4-2)12(17)11-15-9-7-14(8-10-15)6-5-13(18)19/h3-11H2,1-2H3,(H,18,19)
InChIKeyHOVJJMWTKXBDQA-UHFFFAOYSA-N
XLogP-0.05
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43397406
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
3-[7-(carboxymethyl)-4,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
CID 129038037
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440
N,N-diethyl-3-piperidin-1-ylpropanamide
CID 110688324
3-[4,7-bis(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
CID 90334719
tris(3-(aziridin-1-yl)propanoic acid);propane-1,1,1-triol
CID 22071895
1-[2-(diethylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63125037
2-[ethyl-[2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetic acid
CID 134552153
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167
3-[4-(2-methylbutyl)piperazin-1-yl]propanoic acid
CID 62104961
N,N-diethyl-3-morpholin-4-ylpropanamide
CID 102409015

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid (CID 43397033) is 3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid is CCN(CC)C(=O)CN1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid?
The InChIKey is HOVJJMWTKXBDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-16(4-2)12(17)11-15-9-7-14(8-10-15)6-5-13(18)19/h3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid?
3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43397033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).