3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid

C13H23N3O4 — CID 64668842

IUPAC3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C13H23N3O4/c1-4-16(7-9(2)12(18)19)13(20)14-10-5-6-11(17)15(3)8-10/h9-10H,4-8H2,1-3H3,(H,14,20)(H,18,19)
InChIKeyQZALOLIKRFTGPF-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.36
Rot. Bonds5

About 3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 64668842) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID64668842
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C13H23N3O4/c1-4-16(7-9(2)12(18)19)13(20)14-10-5-6-11(17)15(3)8-10/h9-10H,4-8H2,1-3H3,(H,14,20)(H,18,19)
InChIKeyQZALOLIKRFTGPF-UHFFFAOYSA-N
XLogP0.36
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55232480
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836
2,3-dimethyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 103498588
2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 104686741
2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 64669638
2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
CID 64667991
3-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64667203
4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 64670249
2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid
CID 83042057
2-[cyclopentyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 64669041
N,N-diethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]acetamide
CID 64656762
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide
CID 104685189

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid (CID 64668842) is 3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)NC1CCC(=O)N(C)C1.
What is the InChIKey of 3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is QZALOLIKRFTGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-4-16(7-9(2)12(18)19)13(20)14-10-5-6-11(17)15(3)8-10/h9-10H,4-8H2,1-3H3,(H,14,20)(H,18,19).
What are the key properties of 3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 64668842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).