(1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide

C19H30N2O3 — CID 163890600

IUPAC(1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1CCCC1C(=O)C(N)C12CCC3CCC(CC3(O)C1)C2
InChIInChI=1S/C19H30N2O3/c20-16(15(22)13-2-1-3-14(13)17(21)23)18-7-6-12-5-4-11(8-18)9-19(12,24)10-18/h11-14,16,24H,1-10,20H2,(H2,21,23)/t11?,12?,13?,14-,16?,18?,19?/m1/s1
InChIKeyQBEZADHDRIZBJS-AWEDVPEQSA-N
MW334.46 g/mol
LogP1.51
Rot. Bonds4

About (1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide

(1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide (PubChem CID 163890600) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide
PubChem CID163890600
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1CCCC1C(=O)C(N)C12CCC3CCC(CC3(O)C1)C2
InChIInChI=1S/C19H30N2O3/c20-16(15(22)13-2-1-3-14(13)17(21)23)18-7-6-12-5-4-11(8-18)9-19(12,24)10-18/h11-14,16,24H,1-10,20H2,(H2,21,23)/t11?,12?,13?,14-,16?,18?,19?/m1/s1
InChIKeyQBEZADHDRIZBJS-AWEDVPEQSA-N
XLogP1.51
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide?
The IUPAC name of (1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide (CID 163890600) is (1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide.
What is the SMILES notation for (1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide?
The canonical SMILES for (1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide is NC(=O)[C@@H]1CCCC1C(=O)C(N)C12CCC3CCC(CC3(O)C1)C2.
What is the InChIKey of (1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide?
The InChIKey is QBEZADHDRIZBJS-AWEDVPEQSA-N. The full InChI is InChI=1S/C19H30N2O3/c20-16(15(22)13-2-1-3-14(13)17(21)23)18-7-6-12-5-4-11(8-18)9-19(12,24)10-18/h11-14,16,24H,1-10,20H2,(H2,21,23)/t11?,12?,13?,14-,16?,18?,19?/m1/s1.
What are the key properties of (1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide?
(1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-amino-2-[(1R)-9-hydroxy-1-tricyclo[5.3.1.04,9]undecanyl]acetyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 163890600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).