2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid

C13H23N3O4 — CID 104686741

IUPAC2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
SMILESCC(CCCNC(=O)NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-9(12(18)19)4-3-7-14-13(20)15-10-5-6-11(17)16(2)8-10/h9-10H,3-8H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyDCKRNUZDKIUHGA-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.41
Rot. Bonds6

About 2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid

2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid (PubChem CID 104686741) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
PubChem CID104686741
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
SMILESCC(CCCNC(=O)NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-9(12(18)19)4-3-7-14-13(20)15-10-5-6-11(17)16(2)8-10/h9-10H,3-8H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyDCKRNUZDKIUHGA-UHFFFAOYSA-N
XLogP0.41
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836
4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64670248
2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 114007571
(2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 114007572
5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 64667845
3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
CID 65224311
2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 104686679
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 64670249
2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid
CID 79464236
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide
CID 104685189
(2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 104966339

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid (CID 104686741) is 2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid is CC(CCCNC(=O)NC1CCC(=O)N(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is DCKRNUZDKIUHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(12(18)19)4-3-7-14-13(20)15-10-5-6-11(17)16(2)8-10/h9-10H,3-8H2,1-2H3,(H,18,19)(H2,14,15,20).
What are the key properties of 2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 104686741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).