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

C11H21N3O3 — CID 103869909

IUPAC(2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CN1CCNCC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-2-3-9(11(16)17)13-10(15)8-14-6-4-12-5-7-14/h9,12H,2-8H2,1H3,(H,13,15)(H,16,17)/t9-/m1/s1
InChIKeyZQSQSUXPHMZWON-SECBINFHSA-N
MW243.31 g/mol
LogP-0.74
Rot. Bonds6

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

(2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid (PubChem CID 103869909) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
PubChem CID103869909
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CN1CCNCC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-2-3-9(11(16)17)13-10(15)8-14-6-4-12-5-7-14/h9,12H,2-8H2,1H3,(H,13,15)(H,16,17)/t9-/m1/s1
InChIKeyZQSQSUXPHMZWON-SECBINFHSA-N
XLogP-0.74
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid
CID 114005249
(2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
CID 78975617
(2S)-2-[[(2R)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoic acid
CID 59054802
(2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid
CID 107565058
2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 61157899
(2S)-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]pentanoic acid
CID 107566361
2-(1,4-diazepan-1-yl)-N-(1-phenylbutyl)acetamide
CID 62838472
(2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 107146814
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
N-methyl-2-[(2-piperazin-1-ylacetyl)amino]propanamide
CID 61467729
2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid
CID 107836104

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid (CID 103869909) is (2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid is CCC[C@@H](NC(=O)CN1CCNCC1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid?
The InChIKey is ZQSQSUXPHMZWON-SECBINFHSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-3-9(11(16)17)13-10(15)8-14-6-4-12-5-7-14/h9,12H,2-8H2,1H3,(H,13,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid?
(2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid has a molecular weight of 243.31 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 103869909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).