4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid

C11H20N2O4 — CID 81139656

IUPAC4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
SMILESCOCCC(NC(=O)[C@@H]1CCCNC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-17-6-4-9(11(15)16)13-10(14)8-3-2-5-12-7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-,9?/m1/s1
InChIKeyLZBDHIUCASWXIA-VEDVMXKPSA-N
MW244.29 g/mol
LogP-0.41
Rot. Bonds6

About 4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid

4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid (PubChem CID 81139656) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
PubChem CID81139656
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
SMILESCOCCC(NC(=O)[C@@H]1CCCNC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-17-6-4-9(11(15)16)13-10(14)8-3-2-5-12-7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-,9?/m1/s1
InChIKeyLZBDHIUCASWXIA-VEDVMXKPSA-N
XLogP-0.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
CID 107565163
(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid
CID 107824929
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662
4-methylsulfanyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 61158625
4-methylsulfonyl-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81140712
5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid
CID 61157039
N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 18073012
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide
CID 64603419
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
2-[(4-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 55076337

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid (CID 81139656) is 4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid is COCCC(NC(=O)[C@@H]1CCCNC1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid?
The InChIKey is LZBDHIUCASWXIA-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-17-6-4-9(11(15)16)13-10(14)8-3-2-5-12-7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-,9?/m1/s1.
What are the key properties of 4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid?
4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 81139656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).