(1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate

C37H60N2O3 — CID 67068750

About (1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate

(1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate (PubChem CID 67068750) has the molecular formula C37H60N2O3 and a molecular weight of 580.90 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate.

Molecular Properties

• Compound Name: (1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate
• PubChem CID: 67068750
• Molecular Formula: C37H60N2O3
• Molecular Weight: 580.90 g/mol
• Exact Mass: 580.46
• IUPAC Name: (1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate
• SMILES: CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)C(NC(=O)OCC6CCN(C)C6)CCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1=O
• InChI: InChI=1S/C37H60N2O3/c1-23(2)30-26(40)20-34(5)17-18-35(6)25(31(30)34)10-11-28-36(35,7)16-12-27-33(3,4)15-13-29(37(27,28)8)38-32(41)42-22-24-14-19-39(9)21-24/h23-25,27-29H,10-22H2,1-9H3,(H,38,41)/t24?,25-,27+,28+,29?,34+,35-,36-,37+/m1/s1
• InChIKey: KRLVFUYZXWEKMC-VELIKWEDSA-N
• XLogP: 8.03
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.90
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate?

The IUPAC name of (1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate (CID 67068750) is (1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate.

What is the SMILES notation for (1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate?

The canonical SMILES for (1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate is CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)C(NC(=O)OCC6CCN(C)C6)CCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1=O.

What is the InChIKey of (1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate?

The InChIKey is KRLVFUYZXWEKMC-VELIKWEDSA-N. The full InChI is InChI=1S/C37H60N2O3/c1-23(2)30-26(40)20-34(5)17-18-35(6)25(31(30)34)10-11-28-36(35,7)16-12-27-33(3,4)15-13-29(37(27,28)8)38-32(41)42-22-24-14-19-39(9)21-24/h23-25,27-29H,10-22H2,1-9H3,(H,38,41)/t24?,25-,27+,28+,29?,34+,35-,36-,37+/m1/s1.

What are the key properties of (1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate?

(1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate has a molecular weight of 580.90 g/mol, XLogP of 8.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylpyrrolidin-3-yl)methyl N-[(3aS,5aR,5bR,7aS,11aS,11bS,13aS)-3a,5a,5b,8,8,11a-hexamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-11-yl]carbamate is sourced from PubChem (CID 67068750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).