(2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid

C13H23N3O3 — CID 78989393

IUPAC(2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)C(=O)O
InChIInChI=1S/C13H23N3O3/c1-10(12(17)18)14-13(19)16-8-6-15(7-9-16)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyMCIABCXBTLSSJO-SNVBAGLBSA-N
MW269.34 g/mol
LogP0.73
Rot. Bonds3

About (2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid

(2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 78989393) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid
PubChem CID78989393
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)C(=O)O
InChIInChI=1S/C13H23N3O3/c1-10(12(17)18)14-13(19)16-8-6-15(7-9-16)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyMCIABCXBTLSSJO-SNVBAGLBSA-N
XLogP0.73
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104966194
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61189969
(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
CID 78967875
(2S)-2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61442803
(2S)-2-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 78944972
2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 61442848
2-[[(4-cyclopentylpiperazine-1-carbonyl)amino]methyl]butanoic acid
CID 65221564
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950
(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid (CID 78989393) is (2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid is C[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is MCIABCXBTLSSJO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(12(17)18)14-13(19)16-8-6-15(7-9-16)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid?
(2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 78989393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).