4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid

C15H28N2O4 — CID 103536320

IUPAC4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid
SMILESCOC1CCN(C(=O)NCCC(CCC(=O)O)C(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-11(2)12(4-5-14(18)19)6-8-16-15(20)17-9-7-13(10-17)21-3/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyLTTVPYPPGHNVCZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.94
Rot. Bonds8

About 4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid

4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid (PubChem CID 103536320) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid
PubChem CID103536320
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid
SMILESCOC1CCN(C(=O)NCCC(CCC(=O)O)C(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-11(2)12(4-5-14(18)19)6-8-16-15(20)17-9-7-13(10-17)21-3/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyLTTVPYPPGHNVCZ-UHFFFAOYSA-N
XLogP1.94
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid with MolForge

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Related Compounds

4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 103535057
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid
CID 114679610
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
(3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide
CID 146088458
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 103536111
(2R)-5-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107829496
4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid
CID 115965821
2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 103536134
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055
2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107840959

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid?
The IUPAC name of 4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid (CID 103536320) is 4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid.
What is the SMILES notation for 4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid?
The canonical SMILES for 4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid is COC1CCN(C(=O)NCCC(CCC(=O)O)C(C)C)C1.
What is the InChIKey of 4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid?
The InChIKey is LTTVPYPPGHNVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)12(4-5-14(18)19)6-8-16-15(20)17-9-7-13(10-17)21-3/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid?
4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid is sourced from PubChem (CID 103536320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).