2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid

C13H24N2O5 — CID 104764205

IUPAC2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NCC1(OC)CCOC1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-4-5-12(2,10(16)17)15-11(18)14-8-13(19-3)6-7-20-9-13/h4-9H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyYRGFXRZWKIHKDX-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.73
Rot. Bonds7

About 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid

2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid (PubChem CID 104764205) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid
PubChem CID104764205
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NCC1(OC)CCOC1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-4-5-12(2,10(16)17)15-11(18)14-8-13(19-3)6-7-20-9-13/h4-9H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyYRGFXRZWKIHKDX-UHFFFAOYSA-N
XLogP0.73
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-Trifluoro-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 104764174
2-Cyclopropyl-2-(oxolan-3-ylmethylcarbamoylamino)propanoic acid
CID 55118659
(2S,3S)-3-methyl-2-(oxolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 55118918
2-(1-Methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid
CID 61182410
2-[(2-Methoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid
CID 61183200
2-(2-Methoxyethylcarbamoylamino)-2-methylpentanoic acid
CID 61187357
2-(3-Ethoxypropylcarbamoylamino)-2-methylpentanoic acid
CID 61190758
2-Methyl-2-(oxolan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61191620
2-(3-Methoxypropylcarbamoylamino)-2-methylpentanoic acid
CID 61196523
2-(2-Ethoxyethylcarbamoylamino)-2-methylpentanoic acid
CID 61200894
2-[(2-Ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid
CID 61206573
(2S)-2-(1,4-dioxan-2-ylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61207302

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid (CID 104764205) is 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid is CCCC(C)(NC(=O)NCC1(OC)CCOC1)C(=O)O.
What is the InChIKey of 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid?
The InChIKey is YRGFXRZWKIHKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-4-5-12(2,10(16)17)15-11(18)14-8-13(19-3)6-7-20-9-13/h4-9H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid?
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid is sourced from PubChem (CID 104764205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).