3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid

C13H23N3O3 — CID 61161794

IUPAC3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C13H23N3O3/c17-12(10-14-9-11-1-2-11)16-7-5-15(6-8-16)4-3-13(18)19/h11,14H,1-10H2,(H,18,19)
InChIKeyQRHCIFADDQRROY-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.40
Rot. Bonds7

About 3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid

3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid (PubChem CID 61161794) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid
PubChem CID61161794
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C13H23N3O3/c17-12(10-14-9-11-1-2-11)16-7-5-15(6-8-16)4-3-13(18)19/h11,14H,1-10H2,(H,18,19)
InChIKeyQRHCIFADDQRROY-UHFFFAOYSA-N
XLogP-0.40
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838548
2-(cyclopropylmethylamino)-1-[4-(2-ethoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119843330
2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838013
2-(cyclopropylmethylamino)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 119833979
2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone
CID 54874370
2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 54873746
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834260
1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119826750
3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid
CID 43560613
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid (CID 61161794) is 3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(C(=O)CNCC2CC2)CC1.
What is the InChIKey of 3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid?
The InChIKey is QRHCIFADDQRROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c17-12(10-14-9-11-1-2-11)16-7-5-15(6-8-16)4-3-13(18)19/h11,14H,1-10H2,(H,18,19).
What are the key properties of 3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid?
3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid has a molecular weight of 269.34 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 61161794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).