(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate

C18H24N2O7 — CID 138532010

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate
SMILESCCCCCN(CC(=O)ON1C(=O)CCC1O)C(=O)c1cccc(O)c1O
InChIInChI=1S/C18H24N2O7/c1-2-3-4-10-19(18(26)12-6-5-7-13(21)17(12)25)11-16(24)27-20-14(22)8-9-15(20)23/h5-7,14,21-22,25H,2-4,8-11H2,1H3
InChIKeyDMJQNWZGYXXWMF-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.13
Rot. Bonds8

About (2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate

(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate (PubChem CID 138532010) has the molecular formula C18H24N2O7 and a molecular weight of 380.40 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate
PubChem CID138532010
Molecular FormulaC18H24N2O7
Molecular Weight380.40 g/mol
Exact Mass380.16
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate
SMILESCCCCCN(CC(=O)ON1C(=O)CCC1O)C(=O)c1cccc(O)c1O
InChIInChI=1S/C18H24N2O7/c1-2-3-4-10-19(18(26)12-6-5-7-13(21)17(12)25)11-16(24)27-20-14(22)8-9-15(20)23/h5-7,14,21-22,25H,2-4,8-11H2,1H3
InChIKeyDMJQNWZGYXXWMF-UHFFFAOYSA-N
XLogP1.13
TPSA127.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide
CID 114344176
N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide
CID 145020440
2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350
N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
CID 114343927
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate
CID 129151276
N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide
CID 102993947
N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide
CID 114344418
2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628169
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
(2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate
CID 153387061
2-methyl-N,N-dipentylbenzamide
CID 4576290

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate (CID 138532010) is (2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate is CCCCCN(CC(=O)ON1C(=O)CCC1O)C(=O)c1cccc(O)c1O.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate?
The InChIKey is DMJQNWZGYXXWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O7/c1-2-3-4-10-19(18(26)12-6-5-7-13(21)17(12)25)11-16(24)27-20-14(22)8-9-15(20)23/h5-7,14,21-22,25H,2-4,8-11H2,1H3.
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate?
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate has a molecular weight of 380.40 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate is sourced from PubChem (CID 138532010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).