(2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid

C15H28N2O4 — CID 103927834

IUPAC(2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid
SMILESCCCOC1CCCN(C(=O)N[C@@H](C(=O)O)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-5-9-21-11-7-6-8-17(10-11)14(20)16-12(13(18)19)15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)/t11?,12-/m0/s1
InChIKeyVISUJRBGTPPGMV-KIYNQFGBSA-N
MW300.40 g/mol
LogP2.09
Rot. Bonds5

About (2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid

(2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 103927834) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid
PubChem CID103927834
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name(2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid
SMILESCCCOC1CCCN(C(=O)N[C@@H](C(=O)O)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-5-9-21-11-7-6-8-17(10-11)14(20)16-12(13(18)19)15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)/t11?,12-/m0/s1
InChIKeyVISUJRBGTPPGMV-KIYNQFGBSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 54989771
(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 107839175
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927647
(2S)-2-[(3-aminopiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61403898
3,3-dimethyl-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61408608
(2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 107228211
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 54990167
3,3-dimethyl-2-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61187859
2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid
CID 65299943
4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid
CID 82014865
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid (CID 103927834) is (2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid is CCCOC1CCCN(C(=O)N[C@@H](C(=O)O)C(C)(C)C)C1.
What is the InChIKey of (2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is VISUJRBGTPPGMV-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-9-21-11-7-6-8-17(10-11)14(20)16-12(13(18)19)15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)/t11?,12-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid?
(2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 103927834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).