(2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid

C10H20N2O2 — CID 97170402

IUPAC(2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid
SMILESCC(C)(C)[C@H](C(=O)O)N1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)8(9(13)14)12-6-4-11-5-7-12/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyZYWPAYZZQOVNRW-QMMMGPOBSA-N
MW200.28 g/mol
LogP0.39
Rot. Bonds2

About (2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid

(2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid (PubChem CID 97170402) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid
PubChem CID97170402
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid
SMILESCC(C)(C)[C@H](C(=O)O)N1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)8(9(13)14)12-6-4-11-5-7-12/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyZYWPAYZZQOVNRW-QMMMGPOBSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4,7-bis(1-carboxy-2,2-dimethylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]-3,3-dimethylbutanoic acid
CID 67200360
2-[4,7-bis[carboxy-[(2-methylpropan-2-yl)oxy]methyl]-1,4,7,10-tetrazacyclododec-1-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 18795306
2-(7-methyl-1,4,7,10-tetrazacyclododec-1-yl)propanedioic acid
CID 59046607
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
2-(7-methyl-1,4,7,10-tetrazacyclododec-1-yl)propanoic acid
CID 58654629
2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid
CID 104575554
3,3-dimethyl-2-piperazin-1-ylbutan-1-ol
CID 61324971
2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride
CID 158208756
2-[4-(1-carboxy-2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-hydroxypropanoic acid
CID 57254174
(E)-but-2-enedioic acid;1-propan-2-ylpiperazine
CID 70108433
(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
CID 59979591
2-piperazin-1-ylbut-3-enoic acid
CID 130492255

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid (CID 97170402) is (2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid is CC(C)(C)[C@H](C(=O)O)N1CCNCC1.
What is the InChIKey of (2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid?
The InChIKey is ZYWPAYZZQOVNRW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)8(9(13)14)12-6-4-11-5-7-12/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid?
(2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid is sourced from PubChem (CID 97170402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).