(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid

C11H19NO4 — CID 42255835

IUPAC(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)[C@@H]1CCCO1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t8-,9+/m1/s1
InChIKeyADIRTBNBTYBYMN-BDAKNGLRSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds5

About (2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid

(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid (PubChem CID 42255835) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid
PubChem CID42255835
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)[C@@H]1CCCO1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t8-,9+/m1/s1
InChIKeyADIRTBNBTYBYMN-BDAKNGLRSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

methyl (2R)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681555
methyl 4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 103849887
methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681554
methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate
CID 55048092
(2R)-2-(oxolane-2-carbonylamino)propanoic acid
CID 20848014
2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid
CID 104855552
4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855478
3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855482
N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide
CID 114300828
4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid
CID 104855855
(2S)-2-(bicyclo[3.1.0]hexane-6-carbonylamino)-4-methylpentanoic acid
CID 81451503
N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid (CID 42255835) is (2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid is CC(C)C[C@@H](NC(=O)[C@@H]1CCCO1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid?
The InChIKey is ADIRTBNBTYBYMN-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t8-,9+/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 42255835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).