(2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid

C14H25N3O3 — CID 146145442

IUPAC(2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid
SMILESN[C@@H](CC(=O)N1CCC(C2CCCNC2)CC1)C(=O)O
InChIInChI=1S/C14H25N3O3/c15-12(14(19)20)8-13(18)17-6-3-10(4-7-17)11-2-1-5-16-9-11/h10-12,16H,1-9,15H2,(H,19,20)/t11?,12-/m0/s1
InChIKeyKNFZNTLJPVLSAH-KIYNQFGBSA-N
MW283.37 g/mol
LogP0.03
Rot. Bonds4

About (2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid

(2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid (PubChem CID 146145442) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid
PubChem CID146145442
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name(2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid
SMILESN[C@@H](CC(=O)N1CCC(C2CCCNC2)CC1)C(=O)O
InChIInChI=1S/C14H25N3O3/c15-12(14(19)20)8-13(18)17-6-3-10(4-7-17)11-2-1-5-16-9-11/h10-12,16H,1-9,15H2,(H,19,20)/t11?,12-/m0/s1
InChIKeyKNFZNTLJPVLSAH-KIYNQFGBSA-N
XLogP0.03
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-oxo-4-piperazin-1-ylbutanoic acid
CID 70945873
(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid
CID 67330383
2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
CID 115276433
tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
CID 96536723
3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid
CID 134211094
2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid
CID 105442035
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
2-amino-4-(4-imidazol-1-ylpiperidin-1-yl)-4-oxobutanoic acid
CID 70945433
2-ethyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)butan-1-one
CID 115269613
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(piperidin-3-yl)methanone
CID 43620377
tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 97298298
(3S)-3-cyclohexylpiperidine
CID 7016473

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid?
The IUPAC name of (2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid (CID 146145442) is (2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid is N[C@@H](CC(=O)N1CCC(C2CCCNC2)CC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid?
The InChIKey is KNFZNTLJPVLSAH-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H25N3O3/c15-12(14(19)20)8-13(18)17-6-3-10(4-7-17)11-2-1-5-16-9-11/h10-12,16H,1-9,15H2,(H,19,20)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid?
(2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid has a molecular weight of 283.37 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 146145442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).