3-[(2S)-piperazin-2-yl]propanoic acid

C7H14N2O2 — CID 86334249

IUPAC3-[(2S)-piperazin-2-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CNCCN1
InChIInChI=1S/C7H14N2O2/c10-7(11)2-1-6-5-8-3-4-9-6/h6,8-9H,1-5H2,(H,10,11)/t6-/m0/s1
InChIKeyLQXCKFAKIHBGOZ-LURJTMIESA-N
MW158.20 g/mol
LogP-0.59
Rot. Bonds3

About 3-[(2S)-piperazin-2-yl]propanoic acid

3-[(2S)-piperazin-2-yl]propanoic acid (PubChem CID 86334249) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-[(2S)-piperazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-piperazin-2-yl]propanoic acid
PubChem CID86334249
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-[(2S)-piperazin-2-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CNCCN1
InChIInChI=1S/C7H14N2O2/c10-7(11)2-1-6-5-8-3-4-9-6/h6,8-9H,1-5H2,(H,10,11)/t6-/m0/s1
InChIKeyLQXCKFAKIHBGOZ-LURJTMIESA-N
XLogP-0.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic Acid
CID 7408483
3-(Piperazin-2-YL)propanoic acid
CID 23090469
Sodium 3-(piperazin-2-yl)propanoate
CID 75420758
(3Rs,5sr)-5-aminonipecotic acid
CID 12752561
3(s)-Aminopiperidine-5(r)-carboxylic acid
CID 129822283
(4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid
CID 137349854
3-(N-methylpiperazinyl)propionic acid
CID 82653436
3-Piperazin-2-yl-propionic acid di-trifluoroacetate
CID 74892510
2-Piperazinepropanoic acid, 2,2,2-trifluoroacetate (1:2)
CID 177797772
5-Aminopiperidine-3-carboxylic acid;dihydrochloride
CID 12752562
3-(1,4,7,10-Tetrazacyclododec-2-yl)propanoic acid
CID 18731814
4,5-Bis(methylamino)pentanoic acid
CID 19957993

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-piperazin-2-yl]propanoic acid?
The IUPAC name of 3-[(2S)-piperazin-2-yl]propanoic acid (CID 86334249) is 3-[(2S)-piperazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-piperazin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-piperazin-2-yl]propanoic acid is O=C(O)CC[C@H]1CNCCN1.
What is the InChIKey of 3-[(2S)-piperazin-2-yl]propanoic acid?
The InChIKey is LQXCKFAKIHBGOZ-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2/c10-7(11)2-1-6-5-8-3-4-9-6/h6,8-9H,1-5H2,(H,10,11)/t6-/m0/s1.
What are the key properties of 3-[(2S)-piperazin-2-yl]propanoic acid?
3-[(2S)-piperazin-2-yl]propanoic acid has a molecular weight of 158.20 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-piperazin-2-yl]propanoic acid is sourced from PubChem (CID 86334249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).