3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid

C15H29N3O3 — CID 83018133

IUPAC3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid
SMILESCC1CCCC(C)N1NC(=O)NC(CC(=O)O)C(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-10-7-6-8-11(2)18(10)17-14(21)16-12(9-13(19)20)15(3,4)5/h10-12H,6-9H2,1-5H3,(H,19,20)(H2,16,17,21)
InChIKeyABCFPXNGHLZUIP-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.35
Rot. Bonds4

About 3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid

3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid (PubChem CID 83018133) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid
PubChem CID83018133
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid
SMILESCC1CCCC(C)N1NC(=O)NC(CC(=O)O)C(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-10-7-6-8-11(2)18(10)17-14(21)16-12(9-13(19)20)15(3,4)5/h10-12H,6-9H2,1-5H3,(H,19,20)(H2,16,17,21)
InChIKeyABCFPXNGHLZUIP-UHFFFAOYSA-N
XLogP2.35
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 83020650
(2R)-4-amino-2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4-oxobutanoic acid
CID 107828718
3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid
CID 83024199
(2R)-2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910531
2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid
CID 83019592
N-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropanamide
CID 103430329
(E)-4-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4-oxobut-2-enoic acid
CID 83026396
4,4-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855942
2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid
CID 103261111
2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide
CID 107472618
2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 83019830
3-[(2-ethylcyclopropyl)carbamoylamino]-4,4-dimethylpentanoic acid
CID 114109065

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid?
The IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid (CID 83018133) is 3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid is CC1CCCC(C)N1NC(=O)NC(CC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid?
The InChIKey is ABCFPXNGHLZUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-10-7-6-8-11(2)18(10)17-14(21)16-12(9-13(19)20)15(3,4)5/h10-12H,6-9H2,1-5H3,(H,19,20)(H2,16,17,21).
What are the key properties of 3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid?
3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid has a molecular weight of 299.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 83018133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).