(2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid

C12H23N3O3 — CID 107565058

IUPAC(2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CN1CCC(N)CC1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-2-3-10(12(17)18)14-11(16)8-15-6-4-9(13)5-7-15/h9-10H,2-8,13H2,1H3,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyIRWSSYRKBRYYFR-SNVBAGLBSA-N
MW257.33 g/mol
LogP-0.22
Rot. Bonds6

About (2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid

(2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid (PubChem CID 107565058) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid
PubChem CID107565058
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name(2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CN1CCC(N)CC1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-2-3-10(12(17)18)14-11(16)8-15-6-4-9(13)5-7-15/h9-10H,2-8,13H2,1H3,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyIRWSSYRKBRYYFR-SNVBAGLBSA-N
XLogP-0.22
TPSA95.66 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 ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 107146814
(2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
CID 103869909
2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide
CID 61486865
(2S)-2-[[(2R)-2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]pentanoic acid
CID 59054802
2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
CID 79322712
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]propanamide
CID 79333210
2-(4-aminopiperidin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 43556882
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid
CID 104685674
2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide
CID 81492736
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid (CID 107565058) is (2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid is CCC[C@@H](NC(=O)CN1CCC(N)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is IRWSSYRKBRYYFR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-2-3-10(12(17)18)14-11(16)8-15-6-4-9(13)5-7-15/h9-10H,2-8,13H2,1H3,(H,14,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid?
(2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 257.33 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 107565058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).