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

C13H25N3O3 — CID 81069336

IUPAC3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N(C)C1CCNCC1)CC(=O)O
InChIInChI=1S/C13H25N3O3/c1-3-10(8-12(17)18)9-15-13(19)16(2)11-4-6-14-7-5-11/h10-11,14H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFLMYPAQOGSVTOZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.88
Rot. Bonds6

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

3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid (PubChem CID 81069336) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid
PubChem CID81069336
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N(C)C1CCNCC1)CC(=O)O
InChIInChI=1S/C13H25N3O3/c1-3-10(8-12(17)18)9-15-13(19)16(2)11-4-6-14-7-5-11/h10-11,14H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFLMYPAQOGSVTOZ-UHFFFAOYSA-N
XLogP0.88
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

3-[(piperidine-4-carbonylamino)methyl]pentanoic acid
CID 81072442
1-methyl-1-piperidin-4-yl-3-propylurea
CID 20569907
3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid
CID 61408349
3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069543
3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069382
3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid
CID 81072441
(2S)-2-hydroxy-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 107838739
3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 66003598
3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069707
3-[(piperazine-1-carbonylamino)methyl]pentanoic acid
CID 81069478
3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069215
4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61408256

Frequently Asked Questions

What is the IUPAC name of 3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid (CID 81069336) is 3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid is CCC(CNC(=O)N(C)C1CCNCC1)CC(=O)O.
What is the InChIKey of 3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid?
The InChIKey is FLMYPAQOGSVTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-10(8-12(17)18)9-15-13(19)16(2)11-4-6-14-7-5-11/h10-11,14H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid?
3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81069336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).