(2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid

C11H21N3O3 — CID 104937472

IUPAC(2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCC1CN(C(=O)N[C@H](C)C(=O)O)CC(C)N1C
InChIInChI=1S/C11H21N3O3/c1-7-5-14(6-8(2)13(7)4)11(17)12-9(3)10(15)16/h7-9H,5-6H2,1-4H3,(H,12,17)(H,15,16)/t7?,8?,9-/m1/s1
InChIKeyVMEOMZWPBZOBAU-AMDVSUOASA-N
MW243.31 g/mol
LogP0.19
Rot. Bonds2

About (2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid

(2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 104937472) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
PubChem CID104937472
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCC1CN(C(=O)N[C@H](C)C(=O)O)CC(C)N1C
InChIInChI=1S/C11H21N3O3/c1-7-5-14(6-8(2)13(7)4)11(17)12-9(3)10(15)16/h7-9H,5-6H2,1-4H3,(H,12,17)(H,15,16)/t7?,8?,9-/m1/s1
InChIKeyVMEOMZWPBZOBAU-AMDVSUOASA-N
XLogP0.19
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]pentanedioic acid
CID 114538855
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 114538694
4-methylsulfanyl-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]butanoic acid
CID 114538840
(3S,5R)-3,4,5-trimethylpiperazine-1-carboxylic acid
CID 68968098
(2S)-2-(2,5-dihydropyrrole-1-carbonylamino)propanoic acid
CID 130680339
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005
(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid
CID 104968084
2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61189969
2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 114538651
(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178
2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
CID 61188565

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid (CID 104937472) is (2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid is CC1CN(C(=O)N[C@H](C)C(=O)O)CC(C)N1C.
What is the InChIKey of (2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is VMEOMZWPBZOBAU-AMDVSUOASA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7-5-14(6-8(2)13(7)4)11(17)12-9(3)10(15)16/h7-9H,5-6H2,1-4H3,(H,12,17)(H,15,16)/t7?,8?,9-/m1/s1.
What are the key properties of (2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
(2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 104937472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).