4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid

C13H23N3O5 — CID 62472702

IUPAC4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCNC(=O)C1CCCCN1C(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-14-11(17)10-5-3-4-7-16(10)13(20)15-9(12(18)19)6-8-21-2/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyLMZNOKAUJATSTG-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.21
Rot. Bonds6

About 4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid

4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 62472702) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
PubChem CID62472702
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCNC(=O)C1CCCCN1C(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-14-11(17)10-5-3-4-7-16(10)13(20)15-9(12(18)19)6-8-21-2/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyLMZNOKAUJATSTG-UHFFFAOYSA-N
XLogP-0.21
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107145793
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
CID 62480415
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-4-methoxybutanoic acid
CID 65320187
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566579
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid
CID 81084776
(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830729
(2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61199399
(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825515
2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid
CID 106836809
4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 120703250
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid (CID 62472702) is 4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid is CNC(=O)C1CCCCN1C(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is LMZNOKAUJATSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-14-11(17)10-5-3-4-7-16(10)13(20)15-9(12(18)19)6-8-21-2/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid?
4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 301.34 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 62472702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).