2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid

C15H24N2O8 — CID 175302430

IUPAC2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid
SMILESCCCCOC(=O)NC(CCC(=O)O)(C(=O)O)C(=O)C(=O)CCCN
InChIInChI=1S/C15H24N2O8/c1-2-3-9-25-14(24)17-15(13(22)23,7-6-11(19)20)12(21)10(18)5-4-8-16/h2-9,16H2,1H3,(H,17,24)(H,19,20)(H,22,23)
InChIKeyCPJKYWYVFKGEKA-UHFFFAOYSA-N
MW360.36 g/mol
LogP0.08
Rot. Bonds13

About 2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid

2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid (PubChem CID 175302430) has the molecular formula C15H24N2O8 and a molecular weight of 360.36 g/mol. Its IUPAC name is 2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid.

Molecular Properties

Compound Name2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid
PubChem CID175302430
Molecular FormulaC15H24N2O8
Molecular Weight360.36 g/mol
Exact Mass360.15
IUPAC Name2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid
SMILESCCCCOC(=O)NC(CCC(=O)O)(C(=O)O)C(=O)C(=O)CCCN
InChIInChI=1S/C15H24N2O8/c1-2-3-9-25-14(24)17-15(13(22)23,7-6-11(19)20)12(21)10(18)5-4-8-16/h2-9,16H2,1H3,(H,17,24)(H,19,20)(H,22,23)
InChIKeyCPJKYWYVFKGEKA-UHFFFAOYSA-N
XLogP0.08
TPSA173.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(2-carboxyethyl)-4-(docosoxycarbonylamino)heptanedioic acid
CID 44572434
4-(2-carboxyethyl)-4-(heptadecoxycarbonylamino)heptanedioic acid
CID 71593431
4-methyl-4-(nonadecoxycarbonylamino)heptanedioic acid
CID 54584287
2-(butoxycarbonylamino)-2-propylpentanoic acid
CID 87963773
2,2-bis(butoxycarbonylamino)butanedioic acid
CID 21313448
2-(butoxycarbonylamino)-2-hydroxypentanoic acid
CID 87889866
2-(butoxycarbonylamino)-2-dimethylsulfoniopropanoate
CID 87543786
4-(2-aminoethyl)-4-propyloctanoic acid
CID 146342716
2-(6-aminohexylamino)-2-decylpropanedioic acid
CID 162477286
butoxycarbonylcarbamic acid
CID 22136826
1-butylperoxybutane;4,4-dimethylpentanoic acid
CID 158602949
3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 126603830

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid?
The IUPAC name of 2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid (CID 175302430) is 2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid.
What is the SMILES notation for 2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid?
The canonical SMILES for 2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid is CCCCOC(=O)NC(CCC(=O)O)(C(=O)O)C(=O)C(=O)CCCN.
What is the InChIKey of 2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid?
The InChIKey is CPJKYWYVFKGEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O8/c1-2-3-9-25-14(24)17-15(13(22)23,7-6-11(19)20)12(21)10(18)5-4-8-16/h2-9,16H2,1H3,(H,17,24)(H,19,20)(H,22,23).
What are the key properties of 2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid?
2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid has a molecular weight of 360.36 g/mol, XLogP of 0.08, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid is sourced from PubChem (CID 175302430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).