2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid

C10H15NO6 — CID 104855552

IUPAC2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)[C@@H]1CCCO1)C(=O)O
InChIInChI=1S/C10H15NO6/c12-8(13)4-3-6(10(15)16)11-9(14)7-2-1-5-17-7/h6-7H,1-5H2,(H,11,14)(H,12,13)(H,15,16)/t6?,7-/m0/s1
InChIKeyVMMHITWWEPPZIJ-MLWJPKLSSA-N
MW245.23 g/mol
LogP-0.40
Rot. Bonds6

About 2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid

2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid (PubChem CID 104855552) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid
PubChem CID104855552
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)[C@@H]1CCCO1)C(=O)O
InChIInChI=1S/C10H15NO6/c12-8(13)4-3-6(10(15)16)11-9(14)7-2-1-5-17-7/h6-7H,1-5H2,(H,11,14)(H,12,13)(H,15,16)/t6?,7-/m0/s1
InChIKeyVMMHITWWEPPZIJ-MLWJPKLSSA-N
XLogP-0.40
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855478
(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid
CID 42255835
(2S)-6-diazo-2-[[(2R)-oxane-2-carbonyl]amino]-5-oxohexanoic acid
CID 170437235
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid
CID 65157565
5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid
CID 122056439
2-(cyclobutanecarbonylamino)pentanedioic acid
CID 60657073
(2S)-6-diazo-2-[[(2S)-oxetane-2-carbonyl]amino]-5-oxohexanoic acid
CID 170436902
(2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid
CID 107831481
(2R)-2-(oxolane-2-carbonylamino)propanoic acid
CID 20848014
4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855940
2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid
CID 136551315
2,3-dimethyl-6-(oxolane-2-carbonylamino)hept-2-enediamide
CID 175133970

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid?
The IUPAC name of 2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid (CID 104855552) is 2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid is O=C(O)CCC(NC(=O)[C@@H]1CCCO1)C(=O)O.
What is the InChIKey of 2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid?
The InChIKey is VMMHITWWEPPZIJ-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H15NO6/c12-8(13)4-3-6(10(15)16)11-9(14)7-2-1-5-17-7/h6-7H,1-5H2,(H,11,14)(H,12,13)(H,15,16)/t6?,7-/m0/s1.
What are the key properties of 2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid?
2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid has a molecular weight of 245.23 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid is sourced from PubChem (CID 104855552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).