3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid

C11H20N2O4 — CID 103871073

IUPAC3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)C[C@@H](N)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H20N2O4/c1-7(2)5-8(12)9(14)13-11(10(15)16)3-4-17-6-11/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)/t8-,11?/m1/s1
InChIKeyJZBSRMPFRAOWOC-RZZZFEHKSA-N
MW244.29 g/mol
LogP-0.28
Rot. Bonds5

About 3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid

3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid (PubChem CID 103871073) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid
PubChem CID103871073
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)C[C@@H](N)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H20N2O4/c1-7(2)5-8(12)9(14)13-11(10(15)16)3-4-17-6-11/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)/t8-,11?/m1/s1
InChIKeyJZBSRMPFRAOWOC-RZZZFEHKSA-N
XLogP-0.28
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643
3-(2-methylpentanoylamino)oxolane-3-carboxylic acid
CID 64888051
1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 103870909
3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
CID 82962021
4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid
CID 115292421
3-[2-(oxan-4-yl)propanoylamino]oxolane-3-carboxylic acid
CID 120688768
3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid
CID 104897993
4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid
CID 104903845
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 106101485
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
(2R)-2-amino-4-methyl-N-(1-methylcyclobutyl)pentanamide
CID 104904023
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid (CID 103871073) is 3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid is CC(C)C[C@@H](N)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is JZBSRMPFRAOWOC-RZZZFEHKSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)5-8(12)9(14)13-11(10(15)16)3-4-17-6-11/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)/t8-,11?/m1/s1.
What are the key properties of 3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid?
3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 103871073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).