(2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide

C15H25N3O4 — CID 160509958

IUPAC(2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide
SMILESCC(=O)CCCNC(=O)C(=O)CCCN1CCC[C@H]1C(N)=O
InChIInChI=1S/C15H25N3O4/c1-11(19)5-2-8-17-15(22)13(20)7-4-10-18-9-3-6-12(18)14(16)21/h12H,2-10H2,1H3,(H2,16,21)(H,17,22)/t12-/m0/s1
InChIKeyJCEOUFJMJBCBLF-LBPRGKRZSA-N
MW311.38 g/mol
LogP-0.23
Rot. Bonds10

About (2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide

(2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide (PubChem CID 160509958) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide
PubChem CID160509958
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide
SMILESCC(=O)CCCNC(=O)C(=O)CCCN1CCC[C@H]1C(N)=O
InChIInChI=1S/C15H25N3O4/c1-11(19)5-2-8-17-15(22)13(20)7-4-10-18-9-3-6-12(18)14(16)21/h12H,2-10H2,1H3,(H2,16,21)(H,17,22)/t12-/m0/s1
InChIKeyJCEOUFJMJBCBLF-LBPRGKRZSA-N
XLogP-0.23
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(5-oxohexyl)pyrrolidine-2-carboxamide
CID 62050782
tert-butyl N-[4-[(2S)-2-carbamoylpyrrolidin-1-yl]butyl]carbamate
CID 54459116
1-butylpyrrolidine-2-carboxamide
CID 19388617
acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
CID 174327126
(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 45116058
N-(4-aminooctadecyl)butanamide;1-octadecylpyrrolidine-2-carboxamide
CID 174786243
2-[1-[3-(2,3-dioxopropanoylamino)propyl]pyrrolidin-2-yl]prop-2-enoic acid
CID 138612692
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
CID 67308625
(2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate
CID 160509957
1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide
CID 63072374
(2S)-1-[3-[(4-cyanophenyl)carbamoylamino]propyl]pyrrolidine-2-carboxamide
CID 95760863

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide (CID 160509958) is (2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide is CC(=O)CCCNC(=O)C(=O)CCCN1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide?
The InChIKey is JCEOUFJMJBCBLF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-11(19)5-2-8-17-15(22)13(20)7-4-10-18-9-3-6-12(18)14(16)21/h12H,2-10H2,1H3,(H2,16,21)(H,17,22)/t12-/m0/s1.
What are the key properties of (2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide?
(2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of -0.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 160509958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).