(2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid

C12H23N3O3 — CID 67328029

IUPAC(2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid
SMILESN[C@@H](CCCNC(=O)CC1CCCNC1)C(=O)O
InChIInChI=1S/C12H23N3O3/c13-10(12(17)18)4-2-6-15-11(16)7-9-3-1-5-14-8-9/h9-10,14H,1-8,13H2,(H,15,16)(H,17,18)/t9?,10-/m0/s1
InChIKeyCIFJQEACRUZCOZ-AXDSSHIGSA-N
MW257.33 g/mol
LogP-0.32
Rot. Bonds7

About (2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid

(2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid (PubChem CID 67328029) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid
PubChem CID67328029
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name(2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid
SMILESN[C@@H](CCCNC(=O)CC1CCCNC1)C(=O)O
InChIInChI=1S/C12H23N3O3/c13-10(12(17)18)4-2-6-15-11(16)7-9-3-1-5-14-8-9/h9-10,14H,1-8,13H2,(H,15,16)(H,17,18)/t9?,10-/m0/s1
InChIKeyCIFJQEACRUZCOZ-AXDSSHIGSA-N
XLogP-0.32
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid
CID 67328584
N-(2-hydroxyethyl)-2-piperidin-3-ylacetamide
CID 22929447
2-cyclopropyl-N-(2-piperidin-3-ylethyl)acetamide
CID 63628201
2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid
CID 90742883
2-cyclohexyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260693
2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557821
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
N-(2-hydroxypropyl)-2-piperidin-3-ylacetamide
CID 62674871
N-(2-ethoxyethyl)-2-piperidin-3-ylacetamide
CID 62689521
2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid
CID 65285664
N-[3-(N-methylanilino)propyl]-2-piperidin-3-ylacetamide
CID 62691049
N-(2,3-dihydroxypropyl)-2-piperidin-3-ylacetamide
CID 66170381

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid (CID 67328029) is (2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid is N[C@@H](CCCNC(=O)CC1CCCNC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid?
The InChIKey is CIFJQEACRUZCOZ-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H23N3O3/c13-10(12(17)18)4-2-6-15-11(16)7-9-3-1-5-14-8-9/h9-10,14H,1-8,13H2,(H,15,16)(H,17,18)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid?
(2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid has a molecular weight of 257.33 g/mol, XLogP of -0.32, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 67328029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).