(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid

C11H20N2O4 — CID 107144880

IUPAC(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)NC1CCOC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-2-3-4-9(10(14)15)13-11(16)12-8-5-6-17-7-8/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)/t8?,9-/m0/s1
InChIKeyIOIWLSHPUGYREE-GKAPJAKFSA-N
MW244.29 g/mol
LogP0.72
Rot. Bonds6

About (2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid

(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid (PubChem CID 107144880) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid
PubChem CID107144880
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)NC1CCOC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-2-3-4-9(10(14)15)13-11(16)12-8-5-6-17-7-8/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)/t8?,9-/m0/s1
InChIKeyIOIWLSHPUGYREE-GKAPJAKFSA-N
XLogP0.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]hexanoic acid
CID 107146447
2-(oxolane-3-carbonylamino)hexanoic acid
CID 61271265
2-amino-N-(oxolan-3-yl)hexanamide
CID 80713232
1-hexan-3-yl-3-(oxolan-3-yl)urea
CID 115759008
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
2-(oxan-4-ylcarbamoylamino)pentanedioic acid
CID 61202775
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
2-(oxolan-3-ylamino)pentanoic acid
CID 63557369
2-(thian-3-ylcarbamoylamino)hexanoic acid
CID 113364262
(2R)-3-hydroxy-2-(oxan-4-ylcarbamoylamino)propanoic acid
CID 80756963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid?
The IUPAC name of (2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid (CID 107144880) is (2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid is CCCC[C@H](NC(=O)NC1CCOC1)C(=O)O.
What is the InChIKey of (2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid?
The InChIKey is IOIWLSHPUGYREE-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-3-4-9(10(14)15)13-11(16)12-8-5-6-17-7-8/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid?
(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 107144880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).