(2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid

C11H21N3O3 — CID 67154306

IUPAC(2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid
SMILESN[C@@H](CCC(=O)NCC1CCNCC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c12-9(11(16)17)1-2-10(15)14-7-8-3-5-13-6-4-8/h8-9,13H,1-7,12H2,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyVJMDUVDFJPAWTC-VIFPVBQESA-N
MW243.31 g/mol
LogP-0.71
Rot. Bonds6

About (2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid

(2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid (PubChem CID 67154306) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid
PubChem CID67154306
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid
SMILESN[C@@H](CCC(=O)NCC1CCNCC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c12-9(11(16)17)1-2-10(15)14-7-8-3-5-13-6-4-8/h8-9,13H,1-7,12H2,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyVJMDUVDFJPAWTC-VIFPVBQESA-N
XLogP-0.71
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 28779882
2-amino-4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 60929743
2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 67154253
(2S)-2-amino-6-piperidin-4-ylhexanoic acid
CID 54155905
(2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid
CID 67328584
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
2-methyl-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 80539959
2-methoxy-N-(piperidin-4-ylmethyl)acetamide
CID 18070130
2-oxo-2-(piperidin-4-ylmethylamino)ethanesulfinic acid
CID 84685887
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride
CID 120561038

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid (CID 67154306) is (2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid is N[C@@H](CCC(=O)NCC1CCNCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid?
The InChIKey is VJMDUVDFJPAWTC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O3/c12-9(11(16)17)1-2-10(15)14-7-8-3-5-13-6-4-8/h8-9,13H,1-7,12H2,(H,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid?
(2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid has a molecular weight of 243.31 g/mol, XLogP of -0.71, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-oxo-5-(piperidin-4-ylmethylamino)pentanoic acid is sourced from PubChem (CID 67154306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).