5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid

C8H13NO5 — CID 143725442

IUPAC5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid
SMILESC[C@@H](NC(=O)CCCC(=O)O)C(=O)O
InChIInChI=1S/C8H13NO5/c1-5(8(13)14)9-6(10)3-2-4-7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyQAICKUPFZDJHPP-RXMQYKEDSA-N
MW203.19 g/mol
LogP-0.17
Rot. Bonds6

About 5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid

5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid (PubChem CID 143725442) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid
PubChem CID143725442
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid
SMILESC[C@@H](NC(=O)CCCC(=O)O)C(=O)O
InChIInChI=1S/C8H13NO5/c1-5(8(13)14)9-6(10)3-2-4-7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyQAICKUPFZDJHPP-RXMQYKEDSA-N
XLogP-0.17
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid (CID 143725442) is 5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid is C[C@@H](NC(=O)CCCC(=O)O)C(=O)O.
What is the InChIKey of 5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid?
The InChIKey is QAICKUPFZDJHPP-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13NO5/c1-5(8(13)14)9-6(10)3-2-4-7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t5-/m1/s1.
What are the key properties of 5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid?
5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid has a molecular weight of 203.19 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 143725442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).