(2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid

C13H23NO5 — CID 97233797

IUPAC(2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid
SMILESCCC[C@@](C)(NC(=O)COC[C@H]1CCCO1)C(=O)O
InChIInChI=1S/C13H23NO5/c1-3-6-13(2,12(16)17)14-11(15)9-18-8-10-5-4-7-19-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)/t10-,13-/m1/s1
InChIKeySVQMEFRJZBJMSW-ZWNOBZJWSA-N
MW273.33 g/mol
LogP0.94
Rot. Bonds8

About (2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid

(2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid (PubChem CID 97233797) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid
PubChem CID97233797
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name(2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid
SMILESCCC[C@@](C)(NC(=O)COC[C@H]1CCCO1)C(=O)O
InChIInChI=1S/C13H23NO5/c1-3-6-13(2,12(16)17)14-11(15)9-18-8-10-5-4-7-19-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)/t10-,13-/m1/s1
InChIKeySVQMEFRJZBJMSW-ZWNOBZJWSA-N
XLogP0.94
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid
CID 95278489
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid
CID 65259862
3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid
CID 115729941
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124851811
2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid
CID 63921325
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
2,2-dimethyl-3-[3-(oxolan-2-ylmethoxy)propanoylamino]propanoic acid
CID 119249846
2-(ethylamino)-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanoic acid
CID 106495705
4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid
CID 60990995
2-methyl-2-(oxane-3-carbonylamino)pentanoic acid
CID 62759574

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid (CID 97233797) is (2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid is CCC[C@@](C)(NC(=O)COC[C@H]1CCCO1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid?
The InChIKey is SVQMEFRJZBJMSW-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H23NO5/c1-3-6-13(2,12(16)17)14-11(15)9-18-8-10-5-4-7-19-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)/t10-,13-/m1/s1.
What are the key properties of (2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid?
(2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid is sourced from PubChem (CID 97233797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).