2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid

C14H27N3O3 — CID 61478379

IUPAC2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)NC1CCCN(CC)C1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-4-10(3)12(13(18)19)16-14(20)15-11-7-6-8-17(5-2)9-11/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyFKGQKMZPCHUTMB-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.27
Rot. Bonds6

About 2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid

2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid (PubChem CID 61478379) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid
PubChem CID61478379
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)NC1CCCN(CC)C1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-4-10(3)12(13(18)19)16-14(20)15-11-7-6-8-17(5-2)9-11/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyFKGQKMZPCHUTMB-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838981
2-[(4-ethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 61468155
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
(2R)-3-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]butanoic acid
CID 79009869
2-bromo-N-(1-ethylpiperidin-3-yl)butanamide
CID 62854187
(2S)-2-[(3,5-dimethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 64731560
2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylpentanoic acid
CID 5192686
3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030045
(2S)-3-methyl-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 61475973

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid?
The IUPAC name of 2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid (CID 61478379) is 2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid is CCC(C)C(NC(=O)NC1CCCN(CC)C1)C(=O)O.
What is the InChIKey of 2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid?
The InChIKey is FKGQKMZPCHUTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-10(3)12(13(18)19)16-14(20)15-11-7-6-8-17(5-2)9-11/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid?
2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid is sourced from PubChem (CID 61478379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).