(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid

C11H17NO6 — CID 65157565

IUPAC(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)CC1CCCO1)C(=O)O
InChIInChI=1S/C11H17NO6/c13-9(6-7-2-1-5-18-7)12-8(11(16)17)3-4-10(14)15/h7-8H,1-6H2,(H,12,13)(H,14,15)(H,16,17)/t7?,8-/m0/s1
InChIKeyMPGGTOXGHBQSFY-MQWKRIRWSA-N
MW259.26 g/mol
LogP-0.01
Rot. Bonds7

About (2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid

(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid (PubChem CID 65157565) has the molecular formula C11H17NO6 and a molecular weight of 259.26 g/mol. Its IUPAC name is (2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid
PubChem CID65157565
Molecular FormulaC11H17NO6
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)CC1CCCO1)C(=O)O
InChIInChI=1S/C11H17NO6/c13-9(6-7-2-1-5-18-7)12-8(11(16)17)3-4-10(14)15/h7-8H,1-6H2,(H,12,13)(H,14,15)(H,16,17)/t7?,8-/m0/s1
InChIKeyMPGGTOXGHBQSFY-MQWKRIRWSA-N
XLogP-0.01
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid
CID 107831657
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid
CID 82787504
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid
CID 104855552
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid
CID 81076491
(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120547201
(2S)-4-hydroxy-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 107821935
(2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 107820646
4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid
CID 65157479
(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
CID 62676165
(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid
CID 65157376

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid (CID 65157565) is (2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid is O=C(O)CC[C@H](NC(=O)CC1CCCO1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid?
The InChIKey is MPGGTOXGHBQSFY-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H17NO6/c13-9(6-7-2-1-5-18-7)12-8(11(16)17)3-4-10(14)15/h7-8H,1-6H2,(H,12,13)(H,14,15)(H,16,17)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid?
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid has a molecular weight of 259.26 g/mol, XLogP of -0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid is sourced from PubChem (CID 65157565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).