(2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid

C12H23N3O3 — CID 78975617

IUPAC(2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CN1CCNCC1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-9(2)7-10(12(17)18)14-11(16)8-15-5-3-13-4-6-15/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyTWPCYKLZIVMSLP-SNVBAGLBSA-N
MW257.33 g/mol
LogP-0.49
Rot. Bonds6

About (2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid

(2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid (PubChem CID 78975617) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
PubChem CID78975617
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name(2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CN1CCNCC1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-9(2)7-10(12(17)18)14-11(16)8-15-5-3-13-4-6-15/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyTWPCYKLZIVMSLP-SNVBAGLBSA-N
XLogP-0.49
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(azepan-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 82042989
(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid
CID 90040549
(2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
CID 103869909
2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 61157899
(2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid
CID 114005249
N-methyl-2-[(2-piperazin-1-ylacetyl)amino]propanamide
CID 61467729
(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide
CID 164701774
2-[3-(azepan-1-yl)propanoylamino]-4-methylpentanoic acid
CID 52983772
(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid
CID 62210939
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 62833118
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119906862

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid (CID 78975617) is (2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)CN1CCNCC1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid?
The InChIKey is TWPCYKLZIVMSLP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(2)7-10(12(17)18)14-11(16)8-15-5-3-13-4-6-15/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid has a molecular weight of 257.33 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 78975617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).