(2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide

C17H30N2O3 — CID 167404690

IUPAC(2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide
SMILESCCC(C)C(=O)C[C@H](C(=O)N1CCC[C@H]1C(N)=O)C(C)(C)C
InChIInChI=1S/C17H30N2O3/c1-6-11(2)14(20)10-12(17(3,4)5)16(22)19-9-7-8-13(19)15(18)21/h11-13H,6-10H2,1-5H3,(H2,18,21)/t11?,12-,13+/m1/s1
InChIKeyWVCUXHGSJBLEAU-HDYSRYHKSA-N
MW310.44 g/mol
LogP2.13
Rot. Bonds6

About (2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide (PubChem CID 167404690) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide
PubChem CID167404690
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name(2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide
SMILESCCC(C)C(=O)C[C@H](C(=O)N1CCC[C@H]1C(N)=O)C(C)(C)C
InChIInChI=1S/C17H30N2O3/c1-6-11(2)14(20)10-12(17(3,4)5)16(22)19-9-7-8-13(19)15(18)21/h11-13H,6-10H2,1-5H3,(H2,18,21)/t11?,12-,13+/m1/s1
InChIKeyWVCUXHGSJBLEAU-HDYSRYHKSA-N
XLogP2.13
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
butane;molecular hydrogen;(2S)-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143355463
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
1-(5-amino-2-methylpentanoyl)pyrrolidine-2-carboxamide
CID 104683570
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860
ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116537911
1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 70287135
1-(2-bromobutanoyl)piperidine-2-carboxamide
CID 62854478
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide
CID 107026089

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide (CID 167404690) is (2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide is CCC(C)C(=O)C[C@H](C(=O)N1CCC[C@H]1C(N)=O)C(C)(C)C.
What is the InChIKey of (2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide?
The InChIKey is WVCUXHGSJBLEAU-HDYSRYHKSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-6-11(2)14(20)10-12(17(3,4)5)16(22)19-9-7-8-13(19)15(18)21/h11-13H,6-10H2,1-5H3,(H2,18,21)/t11?,12-,13+/m1/s1.
What are the key properties of (2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 167404690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).