4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid

C11H19NO4 — CID 104855940

IUPAC4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)[C@H]1CCCO1
InChIInChI=1S/C11H19NO4/c1-7(2)8(6-10(13)14)12-11(15)9-4-3-5-16-9/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t8?,9-/m1/s1
InChIKeyRZHNBWJWTMGPOJ-YGPZHTELSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds5

About 4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid

4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid (PubChem CID 104855940) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
PubChem CID104855940
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)[C@H]1CCCO1
InChIInChI=1S/C11H19NO4/c1-7(2)8(6-10(13)14)12-11(15)9-4-3-5-16-9/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t8?,9-/m1/s1
InChIKeyRZHNBWJWTMGPOJ-YGPZHTELSA-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

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Related Compounds

(2S)-N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide
CID 104856123
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide
CID 79253075
4,4-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855942
(2R)-2-(oxolane-2-carbonylamino)propanoic acid
CID 20848014
N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643
(2R)-N-[(2S)-1-hydroxypropan-2-yl]oxolane-2-carboxamide
CID 39236427
3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855482
(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide
CID 130735264
5,5-dimethyl-3-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
CID 104867260
(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid
CID 42255835
N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide
CID 174326114
5-methyl-3-[[[(2S)-oxolane-2-carbonyl]amino]methyl]hexanoic acid
CID 104855778

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid (CID 104855940) is 4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid is CC(C)C(CC(=O)O)NC(=O)[C@H]1CCCO1.
What is the InChIKey of 4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid?
The InChIKey is RZHNBWJWTMGPOJ-YGPZHTELSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(2)8(6-10(13)14)12-11(15)9-4-3-5-16-9/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t8?,9-/m1/s1.
What are the key properties of 4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid?
4-methyl-3-[[(2R)-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 4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 104855940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).