2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid

C12H21N3O3 — CID 62626328

IUPAC2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C12H21N3O3/c16-11(13-10-1-2-10)3-4-14-5-7-15(8-6-14)9-12(17)18/h10H,1-9H2,(H,13,16)(H,17,18)
InChIKeyJITNVEUKLJZXGJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.64
Rot. Bonds6

About 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid

2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid (PubChem CID 62626328) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid
PubChem CID62626328
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C12H21N3O3/c16-11(13-10-1-2-10)3-4-14-5-7-15(8-6-14)9-12(17)18/h10H,1-9H2,(H,13,16)(H,17,18)
InChIKeyJITNVEUKLJZXGJ-UHFFFAOYSA-N
XLogP-0.64
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 43522437
N-cyclopropyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109011725
N-cycloheptyl-3-pyrrolidin-1-ylpropanamide
CID 110688180
N-cyclohexyl-3-pyrrolidin-1-ylpropanamide
CID 71029146
3-(azepan-1-yl)-N-cyclohexylpropanamide
CID 109014005
N-cyclohexyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60706788
ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 51077572
3-[4,10-bis(carboxymethyl)-7-[3-(methylamino)-3-oxopropyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
CID 122463672
N-cyclopropyl-3-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106672855
N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854650
N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101
N-cyclopropyl-2-[4-(5-hydroxypentyl)piperazin-1-yl]acetamide
CID 52875850

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid (CID 62626328) is 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(CCC(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid?
The InChIKey is JITNVEUKLJZXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c16-11(13-10-1-2-10)3-4-14-5-7-15(8-6-14)9-12(17)18/h10H,1-9H2,(H,13,16)(H,17,18).
What are the key properties of 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid?
2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid has a molecular weight of 255.32 g/mol, XLogP of -0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 62626328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).