(2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide

C16H29N3O3 — CID 56714924

IUPAC(2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)C1CCC(O)CC1
InChIInChI=1S/C16H29N3O3/c1-3-18(4-2)16(22)14-9-12(17)10-19(14)15(21)11-5-7-13(20)8-6-11/h11-14,20H,3-10,17H2,1-2H3/t11?,12-,13?,14-/m0/s1
InChIKeyMZUPPGPUHWFSIH-YIOUJQMASA-N
MW311.43 g/mol
LogP0.33
Rot. Bonds4

About (2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 56714924) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID56714924
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)C1CCC(O)CC1
InChIInChI=1S/C16H29N3O3/c1-3-18(4-2)16(22)14-9-12(17)10-19(14)15(21)11-5-7-13(20)8-6-11/h11-14,20H,3-10,17H2,1-2H3/t11?,12-,13?,14-/m0/s1
InChIKeyMZUPPGPUHWFSIH-YIOUJQMASA-N
XLogP0.33
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide (CID 56714924) is (2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)C1CCC(O)CC1.
What is the InChIKey of (2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is MZUPPGPUHWFSIH-YIOUJQMASA-N. The full InChI is InChI=1S/C16H29N3O3/c1-3-18(4-2)16(22)14-9-12(17)10-19(14)15(21)11-5-7-13(20)8-6-11/h11-14,20H,3-10,17H2,1-2H3/t11?,12-,13?,14-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N,N-diethyl-1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56714924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).