(2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid

C13H25N3O3 — CID 107146814

IUPAC(2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CN1CCC(N)CC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-2-3-4-11(13(18)19)15-12(17)9-16-7-5-10(14)6-8-16/h10-11H,2-9,14H2,1H3,(H,15,17)(H,18,19)/t11-/m0/s1
InChIKeyIKTORLDKSAHNDR-NSHDSACASA-N
MW271.36 g/mol
LogP0.17
Rot. Bonds7

About (2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid

(2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid (PubChem CID 107146814) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
PubChem CID107146814
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CN1CCC(N)CC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-2-3-4-11(13(18)19)15-12(17)9-16-7-5-10(14)6-8-16/h10-11H,2-9,14H2,1H3,(H,15,17)(H,18,19)/t11-/m0/s1
InChIKeyIKTORLDKSAHNDR-NSHDSACASA-N
XLogP0.17
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid
CID 107565058
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid
CID 104685674
2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide
CID 61486865
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
2-(4-aminopiperidin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 43556882
2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
CID 79322712
(2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
CID 103869909
2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]propanamide
CID 79333210
(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
CID 120615360
2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide
CID 81492736

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid (CID 107146814) is (2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid is CCCC[C@H](NC(=O)CN1CCC(N)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is IKTORLDKSAHNDR-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N3O3/c1-2-3-4-11(13(18)19)15-12(17)9-16-7-5-10(14)6-8-16/h10-11H,2-9,14H2,1H3,(H,15,17)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid?
(2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 107146814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).