(4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C24H43N3O5 — CID 155818548

IUPAC(4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCCCC1CCC(COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C[C@@H]2CCNC2=O)CC1
InChIInChI=1S/C24H43N3O5/c1-4-5-17-6-8-18(9-7-17)15-32-24(31)27-21(12-16(2)3)23(30)26-20(14-28)13-19-10-11-25-22(19)29/h16-21,28H,4-15H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t17?,18?,19-,20-,21-/m0/s1
InChIKeyNBKZSYADJGBURB-IMPXWGQXSA-N
MW453.62 g/mol
LogP2.74
Rot. Bonds12

About (4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

(4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 155818548) has the molecular formula C24H43N3O5 and a molecular weight of 453.62 g/mol. Its IUPAC name is (4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Name(4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID155818548
Molecular FormulaC24H43N3O5
Molecular Weight453.62 g/mol
Exact Mass453.32
IUPAC Name(4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCCCC1CCC(COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C[C@@H]2CCNC2=O)CC1
InChIInChI=1S/C24H43N3O5/c1-4-5-17-6-8-18(9-7-17)15-32-24(31)27-21(12-16(2)3)23(30)26-20(14-28)13-19-10-11-25-22(19)29/h16-21,28H,4-15H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t17?,18?,19-,20-,21-/m0/s1
InChIKeyNBKZSYADJGBURB-IMPXWGQXSA-N
XLogP2.74
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.62
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of (4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 155818548) is (4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for (4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for (4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is CCCC1CCC(COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C[C@@H]2CCNC2=O)CC1.
What is the InChIKey of (4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is NBKZSYADJGBURB-IMPXWGQXSA-N. The full InChI is InChI=1S/C24H43N3O5/c1-4-5-17-6-8-18(9-7-17)15-32-24(31)27-21(12-16(2)3)23(30)26-20(14-28)13-19-10-11-25-22(19)29/h16-21,28H,4-15H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t17?,18?,19-,20-,21-/m0/s1.
What are the key properties of (4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
(4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 453.62 g/mol, XLogP of 2.74, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylcyclohexyl)methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 155818548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).