(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid

C13H23N3O4 — CID 107824549

IUPAC(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)N[C@H](CC(N)=O)C(=O)O)CCCNC1
InChIInChI=1S/C13H23N3O4/c1-2-4-13(5-3-6-15-8-13)12(20)16-9(11(18)19)7-10(14)17/h9,15H,2-8H2,1H3,(H2,14,17)(H,16,20)(H,18,19)/t9-,13?/m1/s1
InChIKeyXEUAGCOQCYVDIA-CGCSKFHYSA-N
MW285.34 g/mol
LogP-0.40
Rot. Bonds7

About (2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid

(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid (PubChem CID 107824549) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
PubChem CID107824549
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)N[C@H](CC(N)=O)C(=O)O)CCCNC1
InChIInChI=1S/C13H23N3O4/c1-2-4-13(5-3-6-15-8-13)12(20)16-9(11(18)19)7-10(14)17/h9,15H,2-8H2,1H3,(H2,14,17)(H,16,20)(H,18,19)/t9-,13?/m1/s1
InChIKeyXEUAGCOQCYVDIA-CGCSKFHYSA-N
XLogP-0.40
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 107824578
2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 55166881
methyl 4-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
CID 63129989
N-(4-hydroxypentan-2-yl)-3-propylpiperidine-3-carboxamide
CID 113376268
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 79799194
methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
CID 63130841
N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide
CID 64642823
(2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid
CID 63131411
(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107836459
N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
CID 64913722
N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
CID 63135295

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid (CID 107824549) is (2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid is CCCC1(C(=O)N[C@H](CC(N)=O)C(=O)O)CCCNC1.
What is the InChIKey of (2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
The InChIKey is XEUAGCOQCYVDIA-CGCSKFHYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-2-4-13(5-3-6-15-8-13)12(20)16-9(11(18)19)7-10(14)17/h9,15H,2-8H2,1H3,(H2,14,17)(H,16,20)(H,18,19)/t9-,13?/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid has a molecular weight of 285.34 g/mol, XLogP of -0.40, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107824549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).