(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid

C15H29N3O3 — CID 107565964

IUPAC(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCCCN1CCCCC1C)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-3-7-13(14(19)20)17-15(21)16-9-6-11-18-10-5-4-8-12(18)2/h12-13H,3-11H2,1-2H3,(H,19,20)(H2,16,17,21)/t12?,13-/m1/s1
InChIKeyVOQMNEXOOQOFBL-ZGTCLIOFSA-N
MW299.42 g/mol
LogP1.80
Rot. Bonds8

About (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid

(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid (PubChem CID 107565964) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid
PubChem CID107565964
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCCCN1CCCCC1C)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-3-7-13(14(19)20)17-15(21)16-9-6-11-18-10-5-4-8-12(18)2/h12-13H,3-11H2,1-2H3,(H,19,20)(H2,16,17,21)/t12?,13-/m1/s1
InChIKeyVOQMNEXOOQOFBL-ZGTCLIOFSA-N
XLogP1.80
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.80
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

(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499
2-[[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]methyl]butanoic acid
CID 65219331
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
(2S)-2-(3-pyrrolidin-1-ylpropylcarbamoylamino)hexanoic acid
CID 107146051
2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid
CID 63027395
3-methyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 64701409
2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 61265357
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747
(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 107566142
2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide
CID 43113637
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid (CID 107565964) is (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NCCCN1CCCCC1C)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid?
The InChIKey is VOQMNEXOOQOFBL-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-3-7-13(14(19)20)17-15(21)16-9-6-11-18-10-5-4-8-12(18)2/h12-13H,3-11H2,1-2H3,(H,19,20)(H2,16,17,21)/t12?,13-/m1/s1.
What are the key properties of (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid?
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107565964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).