2-(cyclobutanecarbonylamino)pentanedioic acid

C10H15NO5 — CID 60657073

IUPAC2-(cyclobutanecarbonylamino)pentanedioic acid
SMILESO=C(O)CCC(NC(=O)C1CCC1)C(=O)O
InChIInChI=1S/C10H15NO5/c12-8(13)5-4-7(10(15)16)11-9(14)6-2-1-3-6/h6-7H,1-5H2,(H,11,14)(H,12,13)(H,15,16)
InChIKeyKCEXODRBKJYLIP-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.22
Rot. Bonds6

About 2-(cyclobutanecarbonylamino)pentanedioic acid

2-(cyclobutanecarbonylamino)pentanedioic acid (PubChem CID 60657073) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-(cyclobutanecarbonylamino)pentanedioic acid.

Molecular Properties

Compound Name2-(cyclobutanecarbonylamino)pentanedioic acid
PubChem CID60657073
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-(cyclobutanecarbonylamino)pentanedioic acid
SMILESO=C(O)CCC(NC(=O)C1CCC1)C(=O)O
InChIInChI=1S/C10H15NO5/c12-8(13)5-4-7(10(15)16)11-9(14)6-2-1-3-6/h6-7H,1-5H2,(H,11,14)(H,12,13)(H,15,16)
InChIKeyKCEXODRBKJYLIP-UHFFFAOYSA-N
XLogP0.22
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
CID 107831603
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
(2S)-2-[[4-(4-methylpentyl)cyclohexanecarbonyl]amino]pentanedioic acid
CID 22812711
(2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanedioic acid
CID 104865051
2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid
CID 104855552
(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
CID 61159815
(2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid
CID 107067933
(2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid
CID 83193700
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
(2S)-2-(cyclohexanecarbonylamino)-4-methylsulfanylbutanoic acid
CID 40617599
(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid
CID 22838737
(2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid
CID 107835514

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutanecarbonylamino)pentanedioic acid?
The IUPAC name of 2-(cyclobutanecarbonylamino)pentanedioic acid (CID 60657073) is 2-(cyclobutanecarbonylamino)pentanedioic acid.
What is the SMILES notation for 2-(cyclobutanecarbonylamino)pentanedioic acid?
The canonical SMILES for 2-(cyclobutanecarbonylamino)pentanedioic acid is O=C(O)CCC(NC(=O)C1CCC1)C(=O)O.
What is the InChIKey of 2-(cyclobutanecarbonylamino)pentanedioic acid?
The InChIKey is KCEXODRBKJYLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c12-8(13)5-4-7(10(15)16)11-9(14)6-2-1-3-6/h6-7H,1-5H2,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 2-(cyclobutanecarbonylamino)pentanedioic acid?
2-(cyclobutanecarbonylamino)pentanedioic acid has a molecular weight of 229.23 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutanecarbonylamino)pentanedioic acid is sourced from PubChem (CID 60657073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).