2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid

C11H20N2O3 — CID 103224616

IUPAC2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1CCN(C2CC2)CC1
InChIInChI=1S/C11H20N2O3/c1-16-8-10(11(14)15)13-6-4-12(5-7-13)9-2-3-9/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyIIAVQKNXAOHHSE-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.13
Rot. Bonds5

About 2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid

2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid (PubChem CID 103224616) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid
PubChem CID103224616
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1CCN(C2CC2)CC1
InChIInChI=1S/C11H20N2O3/c1-16-8-10(11(14)15)13-6-4-12(5-7-13)9-2-3-9/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyIIAVQKNXAOHHSE-UHFFFAOYSA-N
XLogP-0.13
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 113790332
2-[2-[(1-Carboxy-2-methoxyethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-methoxypropanoic acid
CID 19800415
3-Methoxy-2-piperidin-1-ylpropanoic acid
CID 21873266
2-[2-[Bis(carboxymethyl)amino]ethyl-(1-carboxy-2-methoxyethyl)amino]-3-methoxypropanoic acid
CID 57112485
4-Propan-2-ylmorpholine-3-carboxylic acid
CID 58838582
4-Propylmorpholine-3-carboxylic acid
CID 59867922
2-[Butan-2-yl(2-morpholin-4-ylethyl)amino]acetic acid
CID 60833261
Ethyl 2-(4-cyclopropylpiperazin-1-yl)acetate
CID 61441268
4-(2,2-Dimethylpropyl)morpholine-3-carboxylic acid
CID 65547877
(3S)-4-[(2R)-2-aminopropyl]morpholine-3-carboxylic acid
CID 68521280
4-[(2R)-2-aminopropyl]morpholine-3-carboxylic acid
CID 68521282
(3R)-4-[(2S)-2-aminopropyl]morpholine-3-carboxylic acid
CID 68523802

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid (CID 103224616) is 2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid is COCC(C(=O)O)N1CCN(C2CC2)CC1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid?
The InChIKey is IIAVQKNXAOHHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-16-8-10(11(14)15)13-6-4-12(5-7-13)9-2-3-9/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid?
2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid has a molecular weight of 228.29 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid is sourced from PubChem (CID 103224616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).