(3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid

C13H24N2O3 — CID 2225388

IUPAC(3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid
SMILESC[C@H](CC(=O)O)CC(=O)NCCN1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-11(10-13(17)18)9-12(16)14-5-8-15-6-3-2-4-7-15/h11H,2-10H2,1H3,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyGJNRVMFUDVEJKN-NSHDSACASA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds7

About (3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid

(3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid (PubChem CID 2225388) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid.

Molecular Properties

Compound Name(3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid
PubChem CID2225388
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid
SMILESC[C@H](CC(=O)O)CC(=O)NCCN1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-11(10-13(17)18)9-12(16)14-5-8-15-6-3-2-4-7-15/h11H,2-10H2,1H3,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyGJNRVMFUDVEJKN-NSHDSACASA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid
CID 7318552
3-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid
CID 81069421
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
4-[2-(azepan-1-yl)ethylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61241356
N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide
CID 112686819
5-[2-(azepan-1-yl)ethylamino]-5-oxopentanoic acid
CID 53211701
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 79200302
2-[2-[2-(azepan-1-yl)ethylamino]-2-oxoethoxy]acetic acid
CID 53211349
5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid
CID 62964310
3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid
CID 62964716
3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide
CID 104502480

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid?
The IUPAC name of (3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid (CID 2225388) is (3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid.
What is the SMILES notation for (3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid?
The canonical SMILES for (3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid is C[C@H](CC(=O)O)CC(=O)NCCN1CCCCC1.
What is the InChIKey of (3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid?
The InChIKey is GJNRVMFUDVEJKN-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(10-13(17)18)9-12(16)14-5-8-15-6-3-2-4-7-15/h11H,2-10H2,1H3,(H,14,16)(H,17,18)/t11-/m0/s1.
What are the key properties of (3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid?
(3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid is sourced from PubChem (CID 2225388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).