(2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid

C13H25N3O3 — CID 107566360

IUPAC(2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCCC(CNC)C1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-3-5-11(12(17)18)15-13(19)16-7-4-6-10(9-16)8-14-2/h10-11,14H,3-9H2,1-2H3,(H,15,19)(H,17,18)/t10?,11-/m1/s1
InChIKeyKGOCLEWNRPVMPI-RRKGBCIJSA-N
MW271.36 g/mol
LogP0.88
Rot. Bonds6

About (2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid

(2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid (PubChem CID 107566360) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid
PubChem CID107566360
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCCC(CNC)C1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-3-5-11(12(17)18)15-13(19)16-7-4-6-10(9-16)8-14-2/h10-11,14H,3-9H2,1-2H3,(H,15,19)(H,17,18)/t10?,11-/m1/s1
InChIKeyKGOCLEWNRPVMPI-RRKGBCIJSA-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

(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557
3-hydroxy-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61408514
3,3-dimethyl-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61408608
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566036
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 106587981
(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567387
(2S)-5-amino-2-[(3-ethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61200860
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107826333
(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61203541
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid (CID 107566360) is (2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid is CCC[C@@H](NC(=O)N1CCCC(CNC)C1)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is KGOCLEWNRPVMPI-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-5-11(12(17)18)15-13(19)16-7-4-6-10(9-16)8-14-2/h10-11,14H,3-9H2,1-2H3,(H,15,19)(H,17,18)/t10?,11-/m1/s1.
What are the key properties of (2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid?
(2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]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 (2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 107566360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).