3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid

C13H25N3O3 — CID 61408349

IUPAC3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)N(C)C1CCNCC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-4-9(2)11(12(17)18)15-13(19)16(3)10-5-7-14-8-6-10/h9-11,14H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyXIDNCTZUZJIJQA-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.88
Rot. Bonds5

About 3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid

3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid (PubChem CID 61408349) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid
PubChem CID61408349
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)N(C)C1CCNCC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-4-9(2)11(12(17)18)15-13(19)16(3)10-5-7-14-8-6-10/h9-11,14H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyXIDNCTZUZJIJQA-UHFFFAOYSA-N
XLogP0.88
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196193
(2S)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 61449453
(2S)-2-[[ethyl(piperidin-4-yl)carbamoyl]amino]-3-methylbutanoic acid
CID 61408461
4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61408256
3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid
CID 81069336
(2S)-3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 61408174
3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 61407942
(2S)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 64520008
2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196445
(2S,3S)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 62854240
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid
CID 78974444
5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 61408490

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid (CID 61408349) is 3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid is CCC(C)C(NC(=O)N(C)C1CCNCC1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid?
The InChIKey is XIDNCTZUZJIJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-9(2)11(12(17)18)15-13(19)16(3)10-5-7-14-8-6-10/h9-11,14H,4-8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid?
3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 61408349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).