(2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid

C15H23NO3 — CID 103804245

IUPAC(2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1C2C3CCC(C3)C12)C(=O)O
InChIInChI=1S/C15H23NO3/c1-7(2)5-10(15(18)19)16-14(17)13-11-8-3-4-9(6-8)12(11)13/h7-13H,3-6H2,1-2H3,(H,16,17)(H,18,19)/t8?,9?,10-,11?,12?,13?/m1/s1
InChIKeyMDSWTJSBHGHVTA-VPQSPBFGSA-N
MW265.35 g/mol
LogP1.89
Rot. Bonds5

About (2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid

(2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid (PubChem CID 103804245) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid
PubChem CID103804245
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1C2C3CCC(C3)C12)C(=O)O
InChIInChI=1S/C15H23NO3/c1-7(2)5-10(15(18)19)16-14(17)13-11-8-3-4-9(6-8)12(11)13/h7-13H,3-6H2,1-2H3,(H,16,17)(H,18,19)/t8?,9?,10-,11?,12?,13?/m1/s1
InChIKeyMDSWTJSBHGHVTA-VPQSPBFGSA-N
XLogP1.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid
CID 113354348
(2S)-2-(bicyclo[3.1.0]hexane-6-carbonylamino)-4-methylpentanoic acid
CID 81451503
(2S)-2-[[3,5-bis[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 132574091
3-hydroxy-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)butanoic acid
CID 113424717
4-methyl-2-[(2-methyloxane-4-carbonyl)amino]pentanoic acid
CID 120516078
3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550597
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid
CID 119363265
(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 78975872
(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid
CID 42255835
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 107175022

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid (CID 103804245) is (2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid is CC(C)C[C@@H](NC(=O)C1C2C3CCC(C3)C12)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid?
The InChIKey is MDSWTJSBHGHVTA-VPQSPBFGSA-N. The full InChI is InChI=1S/C15H23NO3/c1-7(2)5-10(15(18)19)16-14(17)13-11-8-3-4-9(6-8)12(11)13/h7-13H,3-6H2,1-2H3,(H,16,17)(H,18,19)/t8?,9?,10-,11?,12?,13?/m1/s1.
What are the key properties of (2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid?
(2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid has a molecular weight of 265.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 103804245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).