5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid

C13H23NO4 — CID 126440241

IUPAC5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
SMILESCN(CC[C@@H]1CCCCO1)C(=O)CCCC(=O)O
InChIInChI=1S/C13H23NO4/c1-14(12(15)6-4-7-13(16)17)9-8-11-5-2-3-10-18-11/h11H,2-10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyRSDUELAODSUKJE-NSHDSACASA-N
MW257.33 g/mol
LogP1.66
Rot. Bonds7

About 5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid

5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid (PubChem CID 126440241) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
PubChem CID126440241
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
SMILESCN(CC[C@@H]1CCCCO1)C(=O)CCCC(=O)O
InChIInChI=1S/C13H23NO4/c1-14(12(15)6-4-7-13(16)17)9-8-11-5-2-3-10-18-11/h11H,2-10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyRSDUELAODSUKJE-NSHDSACASA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
CID 61432529
1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
CID 110604883
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
N-butyl-N-methyl-3-(oxolan-2-yl)propanamide
CID 86929613
N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557
7-(oxolan-2-yl)heptanoic acid
CID 174977398
5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
CID 67699840
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide
CID 110614236
5-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61435718
3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 77086969

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid (CID 126440241) is 5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid is CN(CC[C@@H]1CCCCO1)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid?
The InChIKey is RSDUELAODSUKJE-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO4/c1-14(12(15)6-4-7-13(16)17)9-8-11-5-2-3-10-18-11/h11H,2-10H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid?
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 126440241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).